data_[Nd6Ni2Te2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [P2_1/m]
_cell_length_a [7.4012]
_cell_length_b [4.0397]
_cell_length_c [11.3535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3NiTeCl]
_chemical_formula_sum '[Nd6 Ni2 Te2 Cl2]'
_cell_volume [333.7244]
_cell_formula_units_Z [2]
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
[
  Nd  Nd0  2  0.2164  0.7500  0.5076  1
  Nd  Nd1  2  0.2367  0.7500  0.1146  1
  Nd  Nd2  2  0.2624  0.2500  0.8179  1
  Ni  Ni3  2  0.4913  0.2500  0.0546  1
  Te  Te4  2  0.0602  0.2500  0.3020  1
  Cl  Cl5  2  0.4757  0.2500  0.6286  1
]