data_[Pm2Er6Tm4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  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 [6.7169]
_cell_length_b [11.6819]
_cell_length_c [6.7261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmEr3(TmS3)2]
_chemical_formula_sum '[Pm2 Er6 Tm4 S12]'
_cell_volume [497.4881]
_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  0.0000  0.0000  0.0000  1
  Er  Er1  4  0.0000  0.1611  0.5000  1
  Er  Er2  2  0.0000  0.5000  0.5000  1
  Tm  Tm3  4  0.0000  0.3344  0.0000  1
  S  S4  8  0.2430  0.3277  0.7452  1
  S  S5  4  0.2397  0.5000  0.2510  1
]