data_[Y1Ho1Ti2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Ti  1.5400  1.4000  0.8517
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.3099]
_cell_length_b [4.3099]
_cell_length_c [6.8363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [YHo(TiSi)2]
_chemical_formula_sum '[Y1 Ho1 Ti2 Si2]'
_cell_volume [126.9856]
_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
[
  Y  Y0  1  0.5000  0.5000  0.3044  1
  Ho  Ho1  1  0.0000  0.0000  0.6975  1
  Ti  Ti2  1  0.0000  0.0000  0.2216  1
  Ti  Ti3  1  0.5000  0.5000  0.7780  1
  Si  Si4  2  0.0000  0.5000  0.9992  1
]