data_[Nd2Zr2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zr  1.3300  1.5500  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [15.9075]
_cell_length_b [3.5509]
_cell_length_c [20.1811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NdZrCl5]
_chemical_formula_sum '[Nd2 Zr2 Cl10]'
_cell_volume [1139.9423]
_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  0.2500  0.0000  0.5260  1
  Zr  Zr1  2  0.0000  0.5000  0.5000  1
  Cl  Cl2  4  0.0643  0.0000  0.5807  1
  Cl  Cl3  4  0.1469  0.5000  0.4436  1
  Cl  Cl4  2  0.2500  0.5000  0.6284  1
]