data_[Ho4Tm12S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [10.8056]
_cell_length_b [10.8056]
_cell_length_c [5.3722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ho(TmS)3]
_chemical_formula_sum '[Ho4 Tm12 S12]'
_cell_volume [627.2690]
_cell_formula_units_Z [4]
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
[
  Ho  Ho0  4  0.1212  0.1212  0.0000  1
  Tm  Tm1  8  0.1210  0.6266  0.0000  1
  Tm  Tm2  4  0.1262  0.8738  0.5000  1
  S  S3  8  0.1254  0.3746  0.0000  1
  S  S4  4  0.1272  0.8728  0.0000  1
]