data_[Ho4Mg1In5]
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 [P4/mmm]
_cell_length_a [3.5833]
_cell_length_b [3.5833]
_cell_length_c [20.0664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ho4MgIn5]
_chemical_formula_sum '[Ho4 Mg1 In5]'
_cell_volume [257.6567]
_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  0.0000  0.0000  0.1878  1.0
  Ho  Ho1  2  0.0000  0.0000  0.3962  1.0
  Mg  Mg2  1  0.0000  0.0000  0.0000  1.0
  In  In3  2  0.5000  0.5000  0.0862  1.0
  In  In4  2  0.5000  0.5000  0.2921  1.0
  In  In5  1  0.5000  0.5000  0.5000  1.0
]