data_[Ho4Tl2P1S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6848]
_cell_length_b [3.8596]
_cell_length_c [8.2128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ho4Tl2PS]
_chemical_formula_sum '[Ho4 Tl2 P1 S1]'
_cell_volume [203.9359]
_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
[
  Ho  Ho0  2  0.2373  0.5000  0.2026  1.0
  Ho  Ho1  2  0.2685  0.0000  0.7988  1.0
  Tl  Tl2  1  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  1  0.5000  0.0000  0.5000  1.0
  P  P4  1  0.5000  0.5000  0.0000  1.0
  S  S5  1  0.0000  0.0000  0.0000  1.0
]