data_[Zr2Ti10Ga16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.6829]
_cell_length_b [7.6829]
_cell_length_c [8.1443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [ZrTi5Ga8]
_chemical_formula_sum '[Zr2 Ti10 Ga16]'
_cell_volume [480.7305]
_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
[
  Zr  Zr0  2  0.0000  0.5000  0.2500  1
  Ti  Ti1  8  0.1245  0.1888  0.9135  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  Ga  Ga3  8  0.0634  0.3408  0.5811  1
  Ga  Ga4  8  0.1224  0.1662  0.2374  1
]