data_[Y6Ho2Sc4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6548]
_cell_length_b [11.5545]
_cell_length_c [6.6759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3Ho(ScS3)2]
_chemical_formula_sum '[Y6 Ho2 Sc4 S12]'
_cell_volume [484.1650]
_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
[
  Y  Y0  4  0.0000  0.1635  0.5000  1.0
  Y  Y1  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho2  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc3  4  0.0000  0.3337  0.0000  1.0
  S  S4  8  0.2497  0.6707  0.7614  1.0
  S  S5  4  0.2368  0.5000  0.2358  1.0
]