data_[Ho12Ti12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [6.8723]
_cell_length_b [16.4633]
_cell_length_c [4.9792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [HoTi]
_chemical_formula_sum '[Ho12 Ti12]'
_cell_volume [563.3439]
_cell_formula_units_Z [12]
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  0.1173  0.6903  0.2500  1
  Ho  Ho1  4  0.1335  0.0226  0.2500  1
  Ho  Ho2  4  0.3862  0.5324  0.2500  1
  Ti  Ti3  4  0.1785  0.1508  0.7500  1
  Ti  Ti4  4  0.3712  0.2009  0.2500  1
  Ti  Ti5  4  0.4262  0.6546  0.7500  1
]