data_[Pm4Hg2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8487]
_cell_length_b [7.1342]
_cell_length_c [7.6786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pm2HgS4]
_chemical_formula_sum '[Pm4 Hg2 S8]'
_cell_volume [359.9149]
_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  2  0.2971  0.2500  0.9470  1
  Pm  Pm1  2  0.2995  0.2500  0.4510  1
  Hg  Hg2  2  0.2289  0.7500  0.1843  1
  S  S3  4  0.4892  0.5083  0.7472  1
  S  S4  2  0.0024  0.2500  0.6167  1
  S  S5  2  0.0063  0.2500  0.1326  1
]