data_[Pm4Si4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9212]
_cell_length_b [10.9935]
_cell_length_c [5.9102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm2Si2S7]
_chemical_formula_sum '[Pm4 Si4 S14]'
_cell_volume [568.4284]
_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  0.2989  0.5000  1
  Si  Si1  4  0.2247  0.0000  0.9154  1
  S  S2  8  0.2485  0.1622  0.7287  1
  S  S3  4  0.1088  0.5000  0.7749  1
  S  S4  2  0.0000  0.0000  0.0000  1
]