data_[Ho12Er6In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.7274]
_cell_length_b [3.5188]
_cell_length_c [14.2895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho6Er3In]
_chemical_formula_sum '[Ho12 Er6 In2]'
_cell_volume [607.8887]
_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  2  0.1137  0.2500  0.7110  1.0
  Ho  Ho1  2  0.1631  0.7500  0.2837  1.0
  Ho  Ho2  2  0.2464  0.2500  0.1061  1.0
  Ho  Ho3  2  0.2814  0.7500  0.9004  1.0
  Ho  Ho4  2  0.3563  0.7500  0.6931  1.0
  Ho  Ho5  2  0.3624  0.2500  0.4775  1.0
  Er  Er6  2  0.0317  0.7500  0.9078  1.0
  Er  Er7  2  0.1228  0.7500  0.5043  1.0
  Er  Er8  2  0.4905  0.7500  0.1021  1.0
  In  In9  2  0.4225  0.7500  0.3032  1.0
]