data_[Pm6Pr4Tm2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9757]
_cell_length_b [12.1114]
_cell_length_c [6.9600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3Pr2TmS6]
_chemical_formula_sum '[Pm6 Pr4 Tm2 S12]'
_cell_volume [554.1037]
_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  0.1729  0.5000  1
  Pr  Pr1  4  0.0000  0.3328  0.0000  1
  Pm  Pm2  2  0.0000  0.5000  0.5000  1
  Tm  Tm3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2413  0.1595  0.2459  1
  S  S5  4  0.2350  0.0000  0.7492  1
]