data_[Ni3Te3Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.0992]
_cell_length_b [20.1522]
_cell_length_c [6.8806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ni3Te3Cl]
_chemical_formula_sum '[Ni3 Te3 Cl1]'
_cell_volume [558.3268]
_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  2  0.2312  0.0714  0.6590  1
  Ni  Ni1  1  0.7014  0.0000  0.5860  1
  Te  Te2  2  0.6962  0.1278  0.5335  1
  Te  Te3  1  0.1215  0.0000  0.3642  1
  Cl  Cl4  1  0.4886  0.0000  0.9071  1
]