data_Cr2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   3.82
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2As
_chemical_formula_sum   'Cr8 As4'
_cell_volume   156.57
_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  Cr4  1  0.17  0.95  0.29  1.0
  Cr  Cr5  1  0.75  0.86  0.81  1.0
  Cr  Cr6  1  0.08  0.95  0.22  1.0
  Cr  Cr7  1  0.66  0.86  0.74  1.0
  Cr  Cr8  1  0.69  0.95  0.78  1.0
  Cr  Cr9  1  0.23  0.86  0.26  1.0
  Cr  Cr10  1  0.6  0.95  0.78  1.0
  Cr  Cr11  1  0.14  0.86  0.26  1.0
  As  As0  1  0.21  0.95  0.48  1.0
  As  As1  1  0.53  0.86  0.96  1.0
  As  As2  1  0.3  0.95  0.08  1.0
  As  As3  1  0.62  0.86  0.56  1.0

data_Cr2As
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.82
_cell_length_b   5.83
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cr2As
_chemical_formula_sum   'Cr8 As4'
_cell_volume   156.57
_cell_formula_units_Z   4
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  0.05  0.25  0.78  1.0
  Cr  Cr1  2  0.05  0.77  0.26  1.0
  Cr  Cr2  2  0.05  0.17  0.71  1.0
  Cr  Cr3  2  0.05  0.69  0.26  1.0
  As  As4  2  0.05  0.3  0.96  1.0
  As  As5  2  0.05  0.38  0.56  1.0

Cr Cr Cr Cr Cr Cr Cr Cr As As As As