# generated using pymatgen
data_CrAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56725900
_cell_length_b   5.68879100
_cell_length_c   6.28667300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAs
_chemical_formula_sum   'Cr4 As4'
_cell_volume   127.57791261
_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  0.25000000  0.50172400  0.71670100  1.0
  Cr  Cr1  1  0.75000000  0.49827600  0.28329900  1.0
  Cr  Cr2  1  0.25000000  0.00172400  0.78329900  1.0
  Cr  Cr3  1  0.75000000  0.99827600  0.21670100  1.0
  As  As4  1  0.25000000  0.71495100  0.07984200  1.0
  As  As5  1  0.75000000  0.28504900  0.92015800  1.0
  As  As6  1  0.25000000  0.21495100  0.42015800  1.0
  As  As7  1  0.75000000  0.78504900  0.57984200  1.0