# generated using pymatgen data_Cr30As11C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00103800 _cell_length_b 6.49166629 _cell_length_c 28.25708665 _cell_angle_alpha 96.59600857 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr30As11C4 _chemical_formula_sum 'Cr30 As11 C4' _cell_volume 546.85326940 _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 Cr Cr0 1 0.00000000 0.27236900 0.00000000 1.0 Cr Cr1 1 0.00000000 0.83310300 0.20404900 1.0 Cr Cr2 1 0.00000000 0.43106200 0.40110800 1.0 Cr Cr3 1 0.00000000 0.02995400 0.59889200 1.0 Cr Cr4 1 0.00000000 0.62905400 0.79595100 1.0 Cr Cr5 1 0.00000000 0.46242500 0.15884000 1.0 Cr Cr6 1 0.00000000 0.06267800 0.35544000 1.0 Cr Cr7 1 0.00000000 0.66269700 0.55333000 1.0 Cr Cr8 1 0.00000000 0.25940700 0.75051400 1.0 Cr Cr9 1 0.00000000 0.84018100 0.94243000 1.0 Cr Cr10 1 0.00000000 0.89775100 0.05757000 1.0 Cr Cr11 1 0.00000000 0.50889300 0.24948600 1.0 Cr Cr12 1 0.00000000 0.10936600 0.44667000 1.0 Cr Cr13 1 0.00000000 0.70723800 0.64456000 1.0 Cr Cr14 1 0.00000000 0.30358500 0.84116000 1.0 Cr Cr15 1 0.50000000 0.60795600 0.00000000 1.0 Cr Cr16 1 0.50000000 0.22076800 0.20284400 1.0 Cr Cr17 1 0.50000000 0.81979100 0.40082200 1.0 Cr Cr18 1 0.50000000 0.41896900 0.59917800 1.0 Cr Cr19 1 0.50000000 0.01792500 0.79715600 1.0 Cr Cr20 1 0.50000000 0.24803200 0.08469000 1.0 Cr Cr21 1 0.50000000 0.83176400 0.27980300 1.0 Cr Cr22 1 0.50000000 0.43067300 0.47686200 1.0 Cr Cr23 1 0.50000000 0.02609800 0.67428200 1.0 Cr Cr24 1 0.50000000 0.60535100 0.86897000 1.0 Cr Cr25 1 0.50000000 0.73638100 0.13103000 1.0 Cr Cr26 1 0.50000000 0.35181600 0.32571800 1.0 Cr Cr27 1 0.50000000 0.95381100 0.52313800 1.0 Cr Cr28 1 0.50000000 0.55196000 0.72019700 1.0 Cr Cr29 1 0.50000000 0.16334200 0.91531000 1.0 As As30 1 0.00000000 0.06228400 0.13829000 1.0 As As31 1 0.00000000 0.66609100 0.33535800 1.0 As As32 1 0.00000000 0.26726500 0.53314100 1.0 As As33 1 0.00000000 0.86574500 0.73089200 1.0 As As34 1 0.00000000 0.46763400 0.93010200 1.0 As As35 1 0.00000000 0.53753200 0.06989800 1.0 As As36 1 0.00000000 0.13485300 0.26910800 1.0 As As37 1 0.00000000 0.73412400 0.46685900 1.0 As As38 1 0.00000000 0.33073300 0.66464200 1.0 As As39 1 0.00000000 0.92399400 0.86171000 1.0 As As40 1 0.50000000 0.99829300 0.00000000 1.0 C C41 1 0.50000000 0.60918800 0.20575400 1.0 C C42 1 0.50000000 0.20235300 0.40077700 1.0 C C43 1 0.50000000 0.80157600 0.59922300 1.0 C C44 1 0.50000000 0.40343400 0.79424600 1.0