# generated using pymatgen data_Zr6CoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50975844 _cell_length_b 7.50975868 _cell_length_c 3.56779969 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000343 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6CoAs2 _chemical_formula_sum 'Zr6 Co1 As2' _cell_volume 174.25410965 _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 Zr Zr0 1 0.24595067 0.00000000 -0.00000000 1.0 Zr Zr1 1 0.75404933 0.75404933 0.00000000 1.0 Zr Zr2 1 0.00000000 0.24595067 -0.00000000 1.0 Zr Zr3 1 -0.00000000 0.58610508 0.50000000 1.0 Zr Zr4 1 0.41389492 0.41389492 0.50000000 1.0 Zr Zr5 1 0.58610508 -0.00000000 0.50000000 1.0 Co Co6 1 0.00000000 0.00000000 0.50000000 1.0 As As7 1 0.33333300 0.66666700 0.00000000 1.0 As As8 1 0.66666700 0.33333300 0.00000000 1.0