data_[La6Ho8Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.5153]
_cell_length_b [7.2931]
_cell_length_c [6.2711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La3Ho4Sc]
_chemical_formula_sum '[La6 Ho8 Sc2]'
_cell_volume [526.6545]
_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
[
  La  La0  4  0.2486  0.3802  0.4787  1.0
  La  La1  2  0.0000  0.6285  0.6488  1.0
  Ho  Ho2  4  0.2443  0.1224  0.9862  1.0
  Ho  Ho3  2  0.0000  0.1236  0.6462  1.0
  Ho  Ho4  2  0.0000  0.8780  0.1476  1.0
  Sc  Sc5  2  0.0000  0.3651  0.1428  1.0
]