data_Cr2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   6.52
_cell_angle_alpha   107.68
_cell_angle_beta   107.68
_cell_angle_gamma   38.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2As
_chemical_formula_sum   'Cr4 As2'
_cell_volume   76.5
_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  Cr2  1  0.45  0.0  0.33  1.0
  Cr  Cr3  1  0.92  0.0  0.43  1.0
  Cr  Cr4  1  0.4  0.0  0.74  1.0
  Cr  Cr5  1  0.87  0.0  0.84  1.0
  As  As0  1  0.74  0.0  0.38  1.0
  As  As1  1  0.58  0.0  0.8  1.0

data_Cr2As
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.94
_cell_length_b   4.46
_cell_length_c   6.52
_cell_angle_alpha   107.68
_cell_angle_beta   90.0
_cell_angle_gamma   109.26
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cr2As
_chemical_formula_sum   'Cr4 As2'
_cell_volume   76.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.21  0.26  1.0
  Cr  Cr1  2  0.0  0.26  0.85  1.0
  As  As2  2  0.0  0.08  0.79  1.0

Cr Cr Cr Cr As As