data_[Nd6Ho2Sc4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [6.6981]
_cell_length_b [11.6407]
_cell_length_c [6.9091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Ho(ScS3)2]
_chemical_formula_sum '[Nd6 Ho2 Sc4 S12]'
_cell_volume [509.4259]
_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
[
  Nd  Nd0  4  0.0000  0.1638  0.5000  1
  Nd  Nd1  2  0.0000  0.5000  0.5000  1
  Ho  Ho2  2  0.0000  0.0000  0.0000  1
  Sc  Sc3  4  0.0000  0.3334  0.0000  1
  S  S4  8  0.2455  0.1709  0.2242  1
  S  S5  4  0.2317  0.5000  0.2214  1
]