# generated using pymatgen data_Mn2CrAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43451400 _cell_length_b 5.57286800 _cell_length_c 18.27033749 _cell_angle_alpha 89.88239051 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CrAs3 _chemical_formula_sum 'Mn8 Cr4 As12' _cell_volume 349.69522503 _cell_formula_units_Z 4 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 Mn Mn0 1 0.50000000 0.00266000 0.39661800 1.0 Mn Mn1 1 0.50000000 0.00233400 0.06439300 1.0 Mn Mn2 1 0.00000000 0.49637700 0.89873600 1.0 Mn Mn3 1 0.00000000 0.49772200 0.56437400 1.0 Mn Mn4 1 0.00000000 0.49761500 0.23072500 1.0 Mn Mn5 1 0.00000000 0.99621900 0.93696900 1.0 Mn Mn6 1 0.00000000 0.99688900 0.60037100 1.0 Mn Mn7 1 0.00000000 0.99689100 0.26897400 1.0 Cr Cr8 1 0.50000000 0.50378800 0.76851200 1.0 Cr Cr9 1 0.50000000 0.50324300 0.43477500 1.0 Cr Cr10 1 0.50000000 0.50361500 0.10243400 1.0 Cr Cr11 1 0.50000000 0.00440800 0.73162400 1.0 As As12 1 0.50000000 0.69798500 0.97384400 1.0 As As13 1 0.50000000 0.70079300 0.63921600 1.0 As As14 1 0.50000000 0.69828500 0.30602400 1.0 As As15 1 0.50000000 0.20005100 0.86062400 1.0 As As16 1 0.50000000 0.19848400 0.52654000 1.0 As As17 1 0.50000000 0.19929600 0.19396000 1.0 As As18 1 0.00000000 0.29943400 0.69262600 1.0 As As19 1 0.00000000 0.29923400 0.35977900 1.0 As As20 1 0.00000000 0.29970100 0.02785500 1.0 As As21 1 0.00000000 0.79828000 0.80723700 1.0 As As22 1 0.00000000 0.80375100 0.47322000 1.0 As As23 1 0.00000000 0.80294500 0.14056900 1.0