# generated using pymatgen
data_CrAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92190367
_cell_length_b   3.22655678
_cell_length_c   7.42636660
_cell_angle_alpha   90.00000000
_cell_angle_beta   119.87023441
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAs2
_chemical_formula_sum   'Cr4 As8'
_cell_volume   185.38315082
_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
  Cr  Cr0  1  0.84711100  0.00000000  0.30021000  1
  Cr  Cr1  1  0.15288900  0.00000000  0.69979000  1
  Cr  Cr2  1  0.34711100  0.50000000  0.30021000  1
  Cr  Cr3  1  0.65288900  0.50000000  0.69979000  1
  As  As4  1  0.09631400  0.50000000  0.39453400  1
  As  As5  1  0.90368600  0.50000000  0.60546600  1
  As  As6  1  0.65022600  0.50000000  0.03691000  1
  As  As7  1  0.34977400  0.50000000  0.96309000  1
  As  As8  1  0.59631400  0.00000000  0.39453400  1
  As  As9  1  0.40368600  0.00000000  0.60546600  1
  As  As10  1  0.15022600  0.00000000  0.03691000  1
  As  As11  1  0.84977400  0.00000000  0.96309000  1
