data_[Nd2Tl8Cl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.8062]
_cell_length_b [5.4048]
_cell_length_c [7.6144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdTl4Cl7]
_chemical_formula_sum '[Nd2 Tl8 Cl14]'
_cell_volume [853.3293]
_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  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0873  0.5000  0.6310  1
  Tl  Tl2  4  0.2016  0.5000  0.2439  1
  Cl  Cl3  4  0.0759  0.0000  0.3604  1
  Cl  Cl4  4  0.1104  0.0000  0.8979  1
  Cl  Cl5  4  0.2225  0.5000  0.6579  1
  Cl  Cl6  2  0.0000  0.5000  0.0000  1
]