# generated using pymatgen data_Ca(B2Pt3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11501875 _cell_length_b 6.11501875 _cell_length_c 5.28346836 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000636 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca(B2Pt3)2 _chemical_formula_sum 'Ca1 B4 Pt6' _cell_volume 171.09814482 _cell_formula_units_Z 1 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 -0.00000000 -0.00000000 0.50000000 1.0 B B1 1 0.33333300 0.66666700 0.42482458 1.0 B B2 1 0.66666700 0.33333300 0.57517542 1.0 B B3 1 0.66666700 0.33333300 0.92712527 1.0 B B4 1 0.33333300 0.66666700 0.07287473 1.0 Pt Pt5 1 0.51767822 0.48232178 0.24971776 1.0 Pt Pt6 1 0.51767822 0.03535545 0.24971776 1.0 Pt Pt7 1 0.96464455 0.48232178 0.24971776 1.0 Pt Pt8 1 0.48232178 0.51767822 0.75028224 1.0 Pt Pt9 1 0.48232178 0.96464455 0.75028224 1.0 Pt Pt10 1 0.03535545 0.51767822 0.75028224 1.0