data_[La6Y4Tm2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  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 [6.9339]
_cell_length_b [11.9611]
_cell_length_c [7.0406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Y2TmS6]
_chemical_formula_sum '[La6 Y4 Tm2 S12]'
_cell_volume [551.0017]
_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
[
  La  La0  4  0.0000  0.1684  0.5000  1.0
  La  La1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  4  0.0000  0.3333  0.0000  1.0
  Tm  Tm3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2404  0.1645  0.2281  1.0
  S  S5  4  0.2474  0.5000  0.2298  1.0
]