data_[Nd4Th4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Th  1.3000  1.8000  1.0800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0342]
_cell_length_b [5.0301]
_cell_length_c [12.2228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdThF]
_chemical_formula_sum '[Nd4 Th4 F4]'
_cell_volume [304.2299]
_cell_formula_units_Z [4]
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  4  0.1068  0.5000  0.6742  1
  Th  Th1  4  0.2039  0.0000  0.8944  1
  F  F2  4  0.0937  0.0000  0.6470  1
]