data_[Er4Tm2In6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8440]
_cell_length_b [11.8521]
_cell_length_c [7.8551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Tm(InS2)3]
_chemical_formula_sum '[Er4 Tm2 In6 S12]'
_cell_volume [609.7805]
_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
[
  Er  Er0  4  0.0000  0.3333  0.0000  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.0000  0.1668  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.2323  0.1661  0.1986  1.0
  S  S5  4  0.2342  0.5000  0.1989  1.0
]