data_[Tb2Ho2C2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.7067]
_cell_length_b [3.7067]
_cell_length_c [12.9139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [TbHoCS]
_chemical_formula_sum '[Tb2 Ho2 C2 S2]'
_cell_volume [153.6623]
_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
[
  Tb  Tb0  2  0.6667  0.3333  0.8538  1
  Ho  Ho1  2  0.3333  0.6667  0.6452  1
  C  C2  2  0.0000  0.0000  0.2514  1
  S  S3  1  0.3333  0.6667  0.0000  1
  S  S4  1  0.6667  0.3333  0.5000  1
]