data_[Ho6Ti2]
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 [P2_1/m]
_cell_length_a [7.4136]
_cell_length_b [3.4512]
_cell_length_c [8.6577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho3Ti]
_chemical_formula_sum '[Ho6 Ti2]'
_cell_volume [221.4936]
_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  0.1418  0.2500  0.1675  1
  Ho  Ho1  2  0.1666  0.2500  0.5833  1
  Ho  Ho2  2  0.3771  0.7500  0.8655  1
  Ti  Ti3  2  0.4264  0.7500  0.3836  1
]