data_[La1Ho4Sc5]
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 [P4/mmm]
_cell_length_a [3.4911]
_cell_length_b [3.4911]
_cell_length_c [23.1351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LaHo4Sc5]
_chemical_formula_sum '[La1 Ho4 Sc5]'
_cell_volume [281.9696]
_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
[
  La  La0  1  0.0000  0.0000  0.0000  1.0
  Ho  Ho1  2  0.0000  0.0000  0.2040  1.0
  Ho  Ho2  2  0.0000  0.0000  0.4011  1.0
  Sc  Sc3  2  0.5000  0.5000  0.1051  1.0
  Sc  Sc4  2  0.5000  0.5000  0.3023  1.0
  Sc  Sc5  1  0.5000  0.5000  0.5000  1.0
]