data_CrNi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.05
_cell_angle_alpha   90.68
_cell_angle_beta   90.68
_cell_angle_gamma   35.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2Cl
_chemical_formula_sum   'Cr1 Ni2 Cl1'
_cell_volume   53.67
_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  Cr1  1  0.5  0.0  0.03  1.0
  Ni  Ni2  1  1.0  0.0  0.98  1.0
  Ni  Ni3  1  0.99  0.0  0.07  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CrNi2Cl
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.93
_cell_length_b   4.05
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   107.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   CrNi2Cl
_chemical_formula_sum   'Cr1 Ni2 Cl1'
_cell_volume   53.67
_cell_formula_units_Z   1
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  1  0.0  0.03  0.0  1.0
  Ni  Ni1  1  0.0  0.07  0.5  1.0
  Ni  Ni2  1  0.0  0.98  0.5  1.0
  Cl  Cl3  1  0.0  0.0  0.5  1.0

Cr Ni Ni Cl