data_[Pr6Er2Tm4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [6.8645]
_cell_length_b [11.7833]
_cell_length_c [6.9627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Er(TmS3)2]
_chemical_formula_sum '[Pr6 Er2 Tm4 S12]'
_cell_volume [532.3012]
_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
[
  Pr  Pr0  4  0.0000  0.1661  0.5000  1.0
  Pr  Pr1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  2  0.0000  0.0000  0.0000  1.0
  Tm  Tm3  4  0.0000  0.3334  0.0000  1.0
  S  S4  8  0.2425  0.1673  0.2270  1.0
  S  S5  4  0.2405  0.5000  0.2266  1.0
]