data_[Tb4Pm6Nd2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9224]
_cell_length_b [12.0279]
_cell_length_c [6.9381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Pm3NdS6]
_chemical_formula_sum '[Tb4 Pm6 Nd2 S12]'
_cell_volume [544.6343]
_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
[
  Tb  Tb0  4  0.0000  0.3337  0.0000  1
  Pm  Pm1  4  0.0000  0.1630  0.5000  1
  Pm  Pm2  2  0.0000  0.5000  0.5000  1
  Nd  Nd3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2477  0.3294  0.7548  1
  S  S5  4  0.2395  0.5000  0.2422  1
]