data_ZrCrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   3.41
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   99.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrCl2
_chemical_formula_sum   'Zr1 Cr1 Cl2'
_cell_volume   86.4
_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
  Zr  Zr3  1  0.98  0.7  0.15  1.0
  Cr  Cr2  1  0.22  0.0  0.75  1.0
  Cl  Cl0  1  0.04  0.0  0.23  1.0
  Cl  Cl1  1  0.52  0.7  0.84  1.0

data_ZrCrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.47
_cell_length_c   7.42
_cell_angle_alpha   99.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrCl2
_chemical_formula_sum   'Zr1 Cr1 Cl2'
_cell_volume   86.4
_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
  Zr  Zr0  1  0.3  0.02  0.85  1.0
  Cr  Cr1  1  0.0  0.78  0.25  1.0
  Cl  Cl2  1  0.0  0.96  0.77  1.0
  Cl  Cl3  1  0.3  0.48  0.16  1.0

Zr Cr Cl Cl