data_[Pm28As4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0213]
_cell_length_b [13.2369]
_cell_length_c [23.9564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm7AsS5]
_chemical_formula_sum '[Pm28 As4 S20]'
_cell_volume [1275.1859]
_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  8  0.0000  0.1381  0.0377  1
  Pm  Pm1  8  0.0000  0.3100  0.6775  1
  Pm  Pm2  8  0.0000  0.4113  0.1127  1
  Pm  Pm3  4  0.0000  0.0292  0.7500  1
  As  As4  4  0.0000  0.3083  0.2500  1
  S  S5  8  0.0000  0.0507  0.1435  1
  S  S6  8  0.0000  0.2236  0.5713  1
  S  S7  4  0.0000  0.5000  0.0000  1
]