data_Cr2AsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   3.92
_cell_length_c   3.92
_cell_angle_alpha   81.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2AsCl
_chemical_formula_sum   'Cr2 As1 Cl1'
_cell_volume   78.28
_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  0.57  0.0  0.73  1.0
  Cr  Cr3  1  0.0  0.0  0.8  1.0
  As  As0  1  0.57  0.0  0.33  1.0
  Cl  Cl1  1  0.0  0.0  0.14  1.0

data_Cr2AsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2AsCl
_chemical_formula_sum   'Cr2 As1 Cl1'
_cell_volume   78.28
_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  Cr0  1  0.0  0.2  0.0  1.0
  Cr  Cr1  1  0.0  0.27  0.43  1.0
  As  As2  1  0.0  0.67  0.43  1.0
  Cl  Cl3  1  0.0  0.86  0.0  1.0

Cr Cr As Cl