# generated using pymatgen data_Ca9Mg(PO4)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.85841198 _cell_length_b 13.85841198 _cell_length_c 13.85841197 _cell_angle_alpha 44.28371451 _cell_angle_beta 44.28371451 _cell_angle_gamma 44.28371610 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca9Mg(PO4)7 _chemical_formula_sum 'Ca18 Mg2 P14 O56' _cell_volume 1179.19988227 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.03425100 0.46911300 0.01228800 1.0 Ca Ca1 1 0.46911300 0.01228800 0.03425100 1.0 Ca Ca2 1 0.01228800 0.03425100 0.46911300 1.0 Ca Ca3 1 0.53425100 0.51228800 0.96911300 1.0 Ca Ca4 1 0.51228800 0.96911300 0.53425100 1.0 Ca Ca5 1 0.96911300 0.53425100 0.51228800 1.0 Ca Ca6 1 0.93074500 0.34575300 0.91803700 1.0 Ca Ca7 1 0.34575300 0.91803700 0.93074500 1.0 Ca Ca8 1 0.91803700 0.93074500 0.34575300 1.0 Ca Ca9 1 0.43074500 0.41803700 0.84575300 1.0 Ca Ca10 1 0.41803700 0.84575300 0.43074500 1.0 Ca Ca11 1 0.84575300 0.43074500 0.41803700 1.0 Ca Ca12 1 0.06001700 0.65525700 0.08839100 1.0 Ca Ca13 1 0.65525700 0.08839100 0.06001700 1.0 Ca Ca14 1 0.08839100 0.06001700 0.65525700 1.0 Ca Ca15 1 0.56001700 0.58839100 0.15525700 1.0 Ca Ca16 1 0.58839100 0.15525700 0.56001700 1.0 Ca Ca17 1 0.15525700 0.56001700 0.58839100 1.0 Mg Mg18 1 0.49987800 0.49987800 0.49987800 1.0 Mg Mg19 1 0.99987800 0.99987800 0.99987800 1.0 P P20 1 0.25379700 0.25379700 0.25379700 1.0 P P21 1 0.75379700 0.75379700 0.75379700 1.0 P P22 1 0.18963300 0.68148800 0.22086300 1.0 P P23 1 0.68148800 0.22086300 0.18963300 1.0 P P24 1 0.22086300 0.18963300 0.68148800 1.0 P P25 1 0.68963300 0.72086300 0.18148800 1.0 P P26 1 0.72086300 0.18148800 0.68963300 1.0 P P27 1 0.18148800 0.68963300 0.72086300 1.0 P P28 1 0.27386100 0.81868500 0.30930600 1.0 P P29 1 0.81868500 0.30930600 0.27386100 1.0 P P30 1 0.30930600 0.27386100 0.81868500 1.0 P P31 1 0.77386100 0.80930600 0.31868500 1.0 P P32 1 0.80930600 0.31868500 0.77386100 1.0 P P33 1 0.31868500 0.77386100 0.80930600 1.0 O O34 1 0.29542500 0.29542500 0.29542500 1.0 O O35 1 0.79542500 0.79542500 0.79542500 1.0 O O36 1 0.39132900 0.21918500 0.11120900 1.0 O O37 1 0.21918500 0.11120900 0.39132900 1.0 O O38 1 0.11120900 0.39132900 0.21918500 1.0 O O39 1 0.89132900 0.61120900 0.71918500 1.0 O O40 1 0.61120900 0.71918500 0.89132900 1.0 O O41 1 0.71918500 0.89132900 0.61120900 1.0 O O42 1 0.13875900 0.60229000 0.23361700 1.0 O O43 1 0.60229000 0.23361700 0.13875900 1.0 O O44 1 0.23361700 0.13875900 0.60229000 1.0 O O45 1 0.63875900 0.73361700 0.10229000 1.0 O O46 1 0.73361700 0.10229000 0.63875900 1.0 O O47 1 0.10229000 0.63875900 0.73361700 1.0 O O48 1 0.36392900 0.62453200 0.14359900 1.0 O O49 1 0.62453200 0.14359900 0.36392900 1.0 O O50 1 0.14359900 0.36392900 0.62453200 1.0 O O51 1 0.86392900 0.64359900 0.12453200 1.0 O O52 1 0.64359900 0.12453200 0.86392900 1.0 O O53 1 0.12453200 0.86392900 0.64359900 1.0 O O54 1 0.11501600 0.65985700 0.38506800 1.0 O O55 1 0.65985700 0.38506800 0.11501600 1.0 O O56 1 0.38506800 0.11501600 0.65985700 1.0 O O57 1 0.61501600 0.88506800 0.15985700 1.0 O O58 1 0.88506800 0.15985700 0.61501600 1.0 O O59 1 0.15985700 0.61501600 0.88506800 1.0 O O60 1 0.12134000 0.85828700 0.12611500 1.0 O O61 1 0.85828700 0.12611500 0.12134000 1.0 O O62 1 0.12611500 0.12134000 0.85828700 1.0 O O63 1 0.62134000 0.62611500 0.35828700 1.0 O O64 1 0.62611500 0.35828700 0.62134000 1.0 O O65 1 0.35828700 0.62134000 0.62611500 1.0 O O66 1 0.29811000 0.91395200 0.30788800 1.0 O O67 1 0.91395200 0.30788800 0.29811000 1.0 O O68 1 0.30788800 0.29811000 0.91395200 1.0 O O69 1 0.79811000 0.80788800 0.41395200 1.0 O O70 1 0.80788800 0.41395200 0.79811000 1.0 O O71 1 0.41395200 0.79811000 0.80788800 1.0 O O72 1 0.10196000 0.85343000 0.40604600 1.0 O O73 1 0.85343000 0.40604600 0.10196000 1.0 O O74 1 0.40604600 0.10196000 0.85343000 1.0 O O75 1 0.60196000 0.90604600 0.35343000 1.0 O O76 1 0.90604600 0.35343000 0.60196000 1.0 O O77 1 0.35343000 0.60196000 0.90604600 1.0 O O78 1 0.33465900 0.86117700 0.14222300 1.0 O O79 1 0.86117700 0.14222300 0.33465900 1.0 O O80 1 0.14222300 0.33465900 0.86117700 1.0 O O81 1 0.83465900 0.64222300 0.36117700 1.0 O O82 1 0.64222300 0.36117700 0.83465900 1.0 O O83 1 0.36117700 0.83465900 0.64222300 1.0 O O84 1 0.36423300 0.64266100 0.38564200 1.0 O O85 1 0.64266100 0.38564200 0.36423300 1.0 O O86 1 0.38564200 0.36423300 0.64266100 1.0 O O87 1 0.86423300 0.88564200 0.14266100 1.0 O O88 1 0.88564200 0.14266100 0.86423300 1.0 O O89 1 0.14266100 0.86423300 0.88564200 1.0