# generated using pymatgen
data_Cr3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57891441
_cell_length_b   4.57891441
_cell_length_c   4.57891441
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3As
_chemical_formula_sum   'Cr6 As2'
_cell_volume   96.00361288
_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  0.25000000  0.00000000  0.50000000  1
  Cr  Cr1  1  0.75000000  0.00000000  0.50000000  1
  Cr  Cr2  1  0.50000000  0.25000000  0.00000000  1
  Cr  Cr3  1  0.50000000  0.75000000  0.00000000  1
  Cr  Cr4  1  0.00000000  0.50000000  0.25000000  1
  Cr  Cr5  1  0.00000000  0.50000000  0.75000000  1
  As  As6  1  0.00000000  0.00000000  0.00000000  1
  As  As7  1  0.50000000  0.50000000  0.50000000  1
