data_Ni2TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   134.16
_cell_angle_beta   106.78
_cell_angle_gamma   90.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2TeCl
_chemical_formula_sum   'Ni2 Te1 Cl1'
_cell_volume   69.8
_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
  Ni  Ni1  1  0.85  0.0  0.48  1.0
  Ni  Ni2  1  0.0  0.83  0.85  1.0
  Te  Te3  1  0.0  0.0  0.33  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ni2TeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   73.22
_cell_angle_beta   67.08
_cell_angle_gamma   67.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2TeCl
_chemical_formula_sum   'Ni2 Te1 Cl1'
_cell_volume   69.8
_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
  Ni  Ni0  1  0.0  0.15  0.48  1.0
  Ni  Ni1  1  0.83  0.0  0.02  1.0
  Te  Te2  1  0.0  0.0  0.33  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ni Ni Te Cl