data_[Ti6Ga1O1]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7084]
_cell_length_b [5.2827]
_cell_length_c [5.4619]
_cell_angle_alpha [80.2648]
_cell_angle_beta [65.6812]
_cell_angle_gamma [87.6637]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ti6GaO]
_chemical_formula_sum '[Ti6 Ga1 O1]'
_cell_volume [121.9538]
_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
[
  Ti  Ti0  2  0.0592  0.7913  0.3498  1.0
  Ti  Ti1  2  0.1961  0.3265  0.0481  1.0
  Ti  Ti2  2  0.4271  0.8919  0.7557  1.0
  Ga  Ga3  1  0.5000  0.5000  0.5000  1.0
  O  O4  1  0.0000  0.0000  0.0000  1.0
]