data_Cr3As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3As2
_chemical_formula_sum   'Cr3 As2'
_cell_volume   80.21
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.0  0.16  0.79  1.0
  Cr  Cr4  1  0.0  0.31  0.98  1.0
  As  As0  1  0.0  0.16  0.34  1.0
  As  As1  1  0.0  0.31  0.43  1.0

data_Cr3As2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.01
_cell_length_b   6.94
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr3As2
_chemical_formula_sum   'Cr6 As4'
_cell_volume   160.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.15  0.0  0.79  1.0
  Cr  Cr1  2  0.31  0.0  0.98  1.0
  Cr  Cr2  2  0.5  0.5  0.0  1.0
  As  As3  2  0.15  0.0  0.34  1.0
  As  As4  2  0.31  0.0  0.43  1.0

Cr Cr Cr As As