# generated using pymatgen data_Ca2Bi3(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.67478871 _cell_length_b 9.67478871 _cell_length_c 7.09568000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000483 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Bi3(PO4)3 _chemical_formula_sum 'Ca4 Bi6 P6 O24' _cell_volume 575.18507718 _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 0.33333300 0.66666700 0.99556800 1.0 Ca Ca1 1 0.66666700 0.33333300 0.00443200 1.0 Ca Ca2 1 0.66666700 0.33333300 0.49556800 1.0 Ca Ca3 1 0.33333300 0.66666700 0.50443200 1.0 Bi Bi4 1 0.80242900 0.79156800 0.75000000 1.0 Bi Bi5 1 0.19757100 0.20843200 0.25000000 1.0 Bi Bi6 1 0.98913900 0.19757100 0.75000000 1.0 Bi Bi7 1 0.01086100 0.80242900 0.25000000 1.0 Bi Bi8 1 0.20843200 0.01086100 0.75000000 1.0 Bi Bi9 1 0.79156800 0.98913900 0.25000000 1.0 P P10 1 0.96794100 0.58784700 0.75000000 1.0 P P11 1 0.03205900 0.41215300 0.25000000 1.0 P P12 1 0.61990500 0.03205900 0.75000000 1.0 P P13 1 0.38009500 0.96794100 0.25000000 1.0 P P14 1 0.41215300 0.38009500 0.75000000 1.0 P P15 1 0.58784700 0.61990500 0.25000000 1.0 O O16 1 0.86648800 0.40364500 0.75000000 1.0 O O17 1 0.13351200 0.59635500 0.25000000 1.0 O O18 1 0.53715700 0.13351200 0.75000000 1.0 O O19 1 0.46284300 0.86648800 0.25000000 1.0 O O20 1 0.59635500 0.46284300 0.75000000 1.0 O O21 1 0.40364500 0.53715700 0.25000000 1.0 O O22 1 0.91383500 0.65090500 0.92517800 1.0 O O23 1 0.08616500 0.34909500 0.07482200 1.0 O O24 1 0.73707000 0.08616500 0.92517800 1.0 O O25 1 0.08616500 0.34909500 0.42517800 1.0 O O26 1 0.26293000 0.91383500 0.07482200 1.0 O O27 1 0.91383500 0.65090500 0.57482200 1.0 O O28 1 0.34909500 0.26293000 0.92517800 1.0 O O29 1 0.26293000 0.91383500 0.42517800 1.0 O O30 1 0.65090500 0.73707000 0.07482200 1.0 O O31 1 0.73707000 0.08616500 0.57482200 1.0 O O32 1 0.65090500 0.73707000 0.42517800 1.0 O O33 1 0.34909500 0.26293000 0.57482200 1.0 O O34 1 0.50213500 0.85222400 0.75000000 1.0 O O35 1 0.49786500 0.14777600 0.25000000 1.0 O O36 1 0.35008900 0.49786500 0.75000000 1.0 O O37 1 0.64991100 0.50213500 0.25000000 1.0 O O38 1 0.14777600 0.64991100 0.75000000 1.0 O O39 1 0.85222400 0.35008900 0.25000000 1.0