data_[Ho16Mg4In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7410]
_cell_length_b [15.0935]
_cell_length_c [5.4638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8Mg2In]
_chemical_formula_sum '[Ho16 Mg4 In2]'
_cell_volume [655.0792]
_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  8  0.2098  0.1131  0.1261  1
  Ho  Ho1  4  0.0000  0.2118  0.5000  1
  Ho  Ho2  4  0.1014  0.5000  0.3016  1
  Mg  Mg3  4  0.0000  0.3059  0.0000  1
  In  In4  2  0.0000  0.0000  0.5000  1
]