# generated using pymatgen
data_CuAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78164031
_cell_length_b   5.39361803
_cell_length_c   11.32774860
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAsS
_chemical_formula_sum   'Cu4 As4 S4'
_cell_volume   231.04895447
_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
  Cu  Cu0  1  0.25000000  0.43610126  0.32581283  1.0
  Cu  Cu1  1  0.75000000  0.93610126  0.17418717  1.0
  Cu  Cu2  1  0.75000000  0.56389874  0.67418717  1.0
  Cu  Cu3  1  0.25000000  0.06389874  0.82581283  1.0
  As  As4  1  0.75000000  0.65139576  0.01377671  1.0
  As  As5  1  0.25000000  0.15139576  0.48622329  1.0
  As  As6  1  0.75000000  0.84860424  0.51377671  1.0
  As  As7  1  0.25000000  0.34860424  0.98622329  1.0
  S  S8  1  0.75000000  0.82621110  0.83178945  1.0
  S  S9  1  0.75000000  0.67378890  0.33178945  1.0
  S  S10  1  0.25000000  0.17378890  0.16821055  1.0
  S  S11  1  0.25000000  0.32621110  0.66821055  1.0