data_ReNi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   148.05
_cell_angle_beta   126.78
_cell_angle_gamma   63.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNi2Cl
_chemical_formula_sum   'Re1 Ni2 Cl1'
_cell_volume   51.57
_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
  Re  Re3  1  0.0  0.0  0.23  1.0
  Ni  Ni1  1  0.0  0.23  0.22  1.0
  Ni  Ni2  1  0.37  0.0  0.01  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ReNi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.45
_cell_length_c   4.97
_cell_angle_alpha   116.61
_cell_angle_beta   105.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNi2Cl
_chemical_formula_sum   'Re1 Ni2 Cl1'
_cell_volume   51.57
_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
  Re  Re0  1  0.77  0.77  0.77  1.0
  Ni  Ni1  1  0.36  0.99  0.36  1.0
  Ni  Ni2  1  0.78  0.01  0.01  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Re Ni Ni Cl