# generated using pymatgen data_VCr3As4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53457500 _cell_length_b 5.64176922 _cell_length_c 6.27291463 _cell_angle_alpha 89.87711822 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCr3As4 _chemical_formula_sum 'V1 Cr3 As4' _cell_volume 125.08951164 _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 V V0 1 0.75000000 0.49407100 0.70557900 1.0 Cr Cr1 1 0.75000000 0.99451900 0.78544500 1.0 Cr Cr2 1 0.25000000 0.50507100 0.30349800 1.0 Cr Cr3 1 0.25000000 0.00674200 0.20877000 1.0 As As4 1 0.75000000 0.29802600 0.07981800 1.0 As As5 1 0.75000000 0.79242000 0.41474400 1.0 As As6 1 0.25000000 0.70747400 0.92493200 1.0 As As7 1 0.25000000 0.20167800 0.57721400 1.0