# generated using pymatgen
data_CrAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68700990
_cell_length_b   3.56922982
_cell_length_c   6.28786980
_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   127.63272375
_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  0.75000000  0.99798400  0.21555000  1
  Cr  Cr1  1  0.25000000  0.00201600  0.78445000  1
  Cr  Cr2  1  0.75000000  0.49798400  0.28445000  1
  Cr  Cr3  1  0.25000000  0.50201600  0.71555000  1
  As  As4  1  0.75000000  0.78621600  0.57978400  1
  As  As5  1  0.25000000  0.21378400  0.42021600  1
  As  As6  1  0.75000000  0.28621600  0.92021600  1
  As  As7  1  0.25000000  0.71378400  0.07978400  1
