# generated using pymatgen
data_Cr2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56074890
_cell_length_b   3.56074890
_cell_length_c   6.32562006
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2As
_chemical_formula_sum   'Cr4 As2'
_cell_volume   80.20211121
_cell_formula_units_Z   2
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  0.50000000  0.66659200  1
  Cr  Cr1  1  0.50000000  0.00000000  0.33340800  1
  Cr  Cr2  1  0.50000000  0.50000000  0.00000000  1
  Cr  Cr3  1  0.00000000  0.00000000  0.00000000  1
  As  As4  1  0.00000000  0.50000000  0.28067400  1
  As  As5  1  0.50000000  0.00000000  0.71932600  1
