data_[Ho2Er1Sc1In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.2491]
_cell_length_b [5.2491]
_cell_length_c [6.5972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ho2ErScIn2]
_chemical_formula_sum '[Ho2 Er1 Sc1 In2]'
_cell_volume [157.4220]
_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
[
  Ho  Ho0  2  0.6667  0.3333  0.2565  1
  Er  Er1  1  0.0000  0.0000  0.0000  1
  Sc  Sc2  1  0.3333  0.6667  0.5000  1
  In  In3  1  0.0000  0.0000  0.5000  1
  In  In4  1  0.3333  0.6667  0.0000  1
]