data_[Nd12Te12H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1351]
_cell_length_b [11.4934]
_cell_length_c [16.5588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3Te3H2]
_chemical_formula_sum '[Nd12 Te12 H8]'
_cell_volume [786.9849]
_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  8  0.0000  0.3510  0.5613  1
  Nd  Nd1  4  0.0000  0.3704  0.2500  1
  Te  Te2  8  0.0000  0.0660  0.6034  1
  Te  Te3  4  0.0000  0.3411  0.7500  1
  H  H4  8  0.0000  0.2315  0.0509  1
]