data_[Ho1Tm2Sc1S4]
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
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6282]
_cell_length_b [3.7896]
_cell_length_c [6.6357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HoTm2ScS4]
_chemical_formula_sum '[Ho1 Tm2 Sc1 S4]'
_cell_volume [157.4705]
_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  1  0.0000  0.5000  0.5000  1.0
  Tm  Tm1  1  0.5000  0.0000  0.5000  1.0
  Tm  Tm2  1  0.5000  0.5000  0.0000  1.0
  Sc  Sc3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2448  0.5000  0.2423  1.0
  S  S5  2  0.2494  0.0000  0.7557  1.0
]