| Line | |
|---|
| 1 | data_Fluoroapatite |
|---|
| 2 | # from FAP.EXP |
|---|
| 3 | _audit_creation_date 2012-06-22T13:58:37 |
|---|
| 4 | _symmetry_space_group_name_H-M 'P 63/m' |
|---|
| 5 | _cell_length_a 9.372000 |
|---|
| 6 | _cell_length_b 9.372000 |
|---|
| 7 | _cell_length_c 6.886000 |
|---|
| 8 | _cell_angle_alpha 90.0000 |
|---|
| 9 | _cell_angle_beta 90.0000 |
|---|
| 10 | _cell_angle_gamma 120.0000 |
|---|
| 11 | loop_ |
|---|
| 12 | _atom_site_label |
|---|
| 13 | _atom_site_type_symbol |
|---|
| 14 | _atom_site_fract_x |
|---|
| 15 | _atom_site_fract_y |
|---|
| 16 | _atom_site_fract_z |
|---|
| 17 | _atom_site_B_iso_or_equiv |
|---|
| 18 | _atom_site_occupancy |
|---|
| 19 | CA1 CA 0.33333 0.66667 0.00100 0.39478350912399995 1.00000 |
|---|
| 20 | CA2 CA 0.24200 0.99200 0.25000 0.39478350912399995 1.00000 |
|---|
| 21 | P3 P 0.39700 0.36700 0.25000 0.39478350912399995 1.00000 |
|---|
| 22 | F4 F 0.00000 0.00000 0.25000 0.7895670182479999 1.00000 |
|---|
| 23 | O5 O 0.32500 0.48500 0.25000 0.39478350912399995 1.00000 |
|---|
| 24 | O6 O 0.59100 0.46900 0.25000 0.39478350912399995 1.00000 |
|---|
| 25 | O7 O 0.34000 0.25800 0.07000 0.39478350912399995 1.00000 |
|---|
Note: See
TracBrowser
for help on using the repository browser.
