data_[Nd10Th2As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3995]
_cell_length_b [12.8054]
_cell_length_c [7.3940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5ThAs6]
_chemical_formula_sum '[Nd10 Th2 As12]'
_cell_volume [660.5093]
_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  4  0.0000  0.1675  0.5000  1
  Nd  Nd1  4  0.0000  0.3337  0.0000  1
  Nd  Nd2  2  0.0000  0.5000  0.5000  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
  As  As4  8  0.2478  0.1652  0.2485  1
  As  As5  4  0.2473  0.0000  0.7518  1
]