data_[Ti18Ga36Re3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0083]
_cell_length_b [10.0083]
_cell_length_c [10.7769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ti6Ga12Re]
_chemical_formula_sum '[Ti18 Ga36 Re3]'
_cell_volume [934.8591]
_cell_formula_units_Z [3]
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
[
  Ti  Ti0  18  0.0177  0.5884  0.7238  1.0
  Ga  Ga1  18  0.0537  0.8579  0.8246  1.0
  Ga  Ga2  18  0.0539  0.1902  0.3939  1.0
  Re  Re3  3  0.0000  0.0000  0.0000  1.0
]