data_[Ho4In4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.3014]
_cell_length_b [6.2568]
_cell_length_c [6.3844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [HoInSn3]
_chemical_formula_sum '[Ho4 In4 Sn12]'
_cell_volume [531.3304]
_cell_formula_units_Z [4]
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  0.3120  0.0118  0.7500  1
  In  In1  4  0.1193  0.2500  0.0000  1
  Sn  Sn2  4  0.0860  0.7117  0.2500  1
  Sn  Sn3  4  0.2887  0.5160  0.7500  1
  Sn  Sn4  4  0.4994  0.2500  0.0000  1
]