# generated using pymatgen data_Ca5P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.29020503 _cell_length_b 8.29020429 _cell_length_c 6.67835723 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999898 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5P3 _chemical_formula_sum 'Ca10 P6' _cell_volume 397.49419095 _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 0.00000000 1.0 Ca Ca1 1 0.66666700 0.33333300 0.00000000 1.0 Ca Ca2 1 0.66666700 0.33333300 0.50000000 1.0 Ca Ca3 1 0.33333300 0.66666700 0.50000000 1.0 Ca Ca4 1 0.25543850 0.00000000 0.25000000 1.0 Ca Ca5 1 0.74456150 0.00000000 0.75000000 1.0 Ca Ca6 1 0.00000000 0.25543850 0.25000000 1.0 Ca Ca7 1 0.00000000 0.74456150 0.75000000 1.0 Ca Ca8 1 0.74456150 0.74456150 0.25000000 1.0 Ca Ca9 1 0.25543850 0.25543850 0.75000000 1.0 P P10 1 0.61075991 0.00000000 0.25000000 1.0 P P11 1 0.38924009 0.00000000 0.75000000 1.0 P P12 1 0.00000000 0.61075991 0.25000000 1.0 P P13 1 0.00000000 0.38924009 0.75000000 1.0 P P14 1 0.38924009 0.38924009 0.25000000 1.0 P P15 1 0.61075991 0.61075991 0.75000000 1.0