data_[Tb1Ho1As1S1]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0240]
_cell_length_b [4.0240]
_cell_length_c [5.6719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TbHoAsS]
_chemical_formula_sum '[Tb1 Ho1 As1 S1]'
_cell_volume [91.8422]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Ho  Ho1  1  0.5000  0.5000  0.0000  1
  As  As2  1  0.5000  0.5000  0.5000  1
  S  S3  1  0.0000  0.0000  0.0000  1
]