data_[Na6Er2Tm4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [6.8206]
_cell_length_b [11.8146]
_cell_length_c [7.0543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Er(TmS3)2]
_chemical_formula_sum '[Na6 Er2 Tm4 S12]'
_cell_volume [538.1102]
_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
[
  Na  Na0  4  0.0000  0.1664  0.5000  1.0
  Na  Na1  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  0.3333  0.0000  1.0
  S  S4  8  0.2420  0.1672  0.2244  1.0
  S  S5  4  0.2403  0.5000  0.2245  1.0
]