data_[Pm10Nd2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [6.9933]
_cell_length_b [12.1462]
_cell_length_c [6.9882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm5NdS6]
_chemical_formula_sum '[Pm10 Nd2 S12]'
_cell_volume [558.8648]
_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
[
  Pm  Pm0  4  0.0000  0.1659  0.5000  1
  Pm  Pm1  4  0.0000  0.3335  0.0000  1
  Pm  Pm2  2  0.0000  0.5000  0.5000  1
  Nd  Nd3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2487  0.3324  0.7488  1
  S  S5  4  0.2485  0.5000  0.2506  1
]