data_[Ho1Zr2Ga9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1888]
_cell_length_b [4.1888]
_cell_length_c [12.4225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [HoZr2Ga9]
_chemical_formula_sum '[Ho1 Zr2 Ga9]'
_cell_volume [217.9650]
_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  1  0.0000  0.0000  0.0000  1
  Zr  Zr1  2  0.0000  0.0000  0.3386  1
  Ga  Ga2  4  0.0000  0.5000  0.1732  1
  Ga  Ga3  2  0.0000  0.5000  0.5000  1
  Ga  Ga4  2  0.5000  0.5000  0.3348  1
  Ga  Ga5  1  0.5000  0.5000  0.0000  1
]