data_NiTe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   145.11
_cell_angle_beta   115.8
_cell_angle_gamma   75.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTe2Cl
_chemical_formula_sum   'Ni1 Te2 Cl1'
_cell_volume   93.44
_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  0.0  0.0  0.52  1.0
  Te  Te2  1  0.71  0.0  0.71  1.0
  Te  Te3  1  0.0  0.03  0.8  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_NiTe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   64.2
_cell_angle_beta   72.56
_cell_angle_gamma   72.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTe2Cl
_chemical_formula_sum   'Ni1 Te2 Cl1'
_cell_volume   93.44
_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  0.52  -0.0  0.48  1.0
  Te  Te1  1  0.01  0.71  0.29  1.0
  Te  Te2  1  0.8  -0.0  0.23  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ni Te Te Cl