data_[Pm4S4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7294]
_cell_length_b [7.1747]
_cell_length_c [6.5661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PmSCl]
_chemical_formula_sum '[Pm4 S4 Cl4]'
_cell_volume [314.4987]
_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  0.2495  0.0557  0.2014  1
  S  S1  4  0.1125  0.1021  0.7908  1
  Cl  Cl2  4  0.4362  0.7290  0.9911  1
]