data_[Ho6Sc4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8767]
_cell_length_b [3.4816]
_cell_length_c [8.6901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3(ScNi)2]
_chemical_formula_sum '[Ho6 Sc4 Ni4]'
_cell_volume [322.0625]
_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
[
  Ho  Ho0  4  0.1128  0.5000  0.4349  1.0
  Ho  Ho1  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc2  4  0.1702  0.0000  0.8199  1.0
  Ni  Ni3  4  0.1830  0.0000  0.2338  1.0
]