data_[Pm4Ho6Sc2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0061]
_cell_length_b [3.8960]
_cell_length_c [7.8618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm2Ho3ScS6]
_chemical_formula_sum '[Pm4 Ho6 Sc2 S12]'
_cell_volume [506.7731]
_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  0.1667  0.0000  0.3339  1
  Ho  Ho1  4  0.1696  0.0000  0.8342  1
  Ho  Ho2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  2  0.0000  0.5000  0.0000  1
  S  S4  4  0.0042  0.0000  0.7608  1
  S  S5  4  0.1618  0.5000  0.0715  1
  S  S6  4  0.1632  0.5000  0.5912  1
]