# generated using pymatgen data_Ca5Ga2BiH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.34784373 _cell_length_b 9.34784372 _cell_length_c 9.34784486 _cell_angle_alpha 129.51320425 _cell_angle_beta 129.51320609 _cell_angle_gamma 74.18619551 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5Ga2BiH _chemical_formula_sum 'Ca10 Ga4 Bi2 H2' _cell_volume 473.99757890 _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 0.50000000 0.50000000 0.00000000 1.0 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1.0 Ca Ca2 1 0.51569162 0.01569162 0.82040216 1.0 Ca Ca3 1 0.19528946 0.69528946 0.17959784 1.0 Ca Ca4 1 0.01569162 0.19528946 0.50000000 1.0 Ca Ca5 1 0.69528946 0.51569162 0.50000000 1.0 Ca Ca6 1 0.48430838 0.98430838 0.17959784 1.0 Ca Ca7 1 0.80471054 0.30471054 0.82040216 1.0 Ca Ca8 1 0.98430838 0.80471054 0.50000000 1.0 Ca Ca9 1 0.30471054 0.48430838 0.50000000 1.0 Ga Ga10 1 0.88599514 0.38599514 0.27199129 1.0 Ga Ga11 1 0.11400486 0.61400486 0.72800871 1.0 Ga Ga12 1 0.38599514 0.11400486 0.50000000 1.0 Ga Ga13 1 0.61400486 0.88599514 0.50000000 1.0 Bi Bi14 1 0.25000000 0.25000000 0.00000000 1.0 Bi Bi15 1 0.75000000 0.75000000 0.00000000 1.0 H H16 1 0.25000000 0.75000000 0.50000000 1.0 H H17 1 0.75000000 0.25000000 0.50000000 1.0