data_[Pm4Y16S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8722]
_cell_length_b [12.9099]
_cell_length_c [19.9272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm(Y2S3)2]
_chemical_formula_sum '[Pm4 Y16 S24]'
_cell_volume [996.1493]
_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
[
  Pm  Pm0  4  0.0000  0.3472  0.7500  1
  Y  Y1  8  0.0000  0.1388  0.0397  1
  Y  Y2  8  0.0000  0.4081  0.1272  1
  S  S3  8  0.0000  0.0487  0.1658  1
  S  S4  8  0.0000  0.2310  0.5889  1
  S  S5  4  0.0000  0.3115  0.2500  1
  S  S6  4  0.0000  0.5000  0.0000  1
]