# generated using pymatgen data_CoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06373413 _cell_length_b 5.85637266 _cell_length_c 3.09964675 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAs2 _chemical_formula_sum 'Co2 As4' _cell_volume 91.92037809 _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 Co Co0 1 0.50000000 0.50000000 0.50000000 1.0 Co Co1 1 0.00000000 -0.00000000 -0.00000000 1.0 As As2 1 0.68725412 0.13472964 0.50000000 1.0 As As3 1 0.31274588 0.86527036 0.50000000 1.0 As As4 1 0.18725412 0.36527036 -0.00000000 1.0 As As5 1 0.81274588 0.63472964 -0.00000000 1.0