data_[Ti1Cr2Ga1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0375]
_cell_length_b [5.1893]
_cell_length_c [5.3770]
_cell_angle_alpha [64.3535]
_cell_angle_beta [89.6328]
_cell_angle_gamma [61.8452]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TiCr2GaO6]
_chemical_formula_sum '[Ti1 Cr2 Ga1 O6]'
_cell_volume [108.2042]
_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  1  0.3092  0.3778  0.9490  1
  Cr  Cr1  1  0.0133  0.9700  0.0403  1
  Cr  Cr2  1  0.5220  0.9580  0.5653  1
  Ga  Ga3  1  0.7749  0.4256  0.4082  1
  O  O4  1  0.0746  0.5049  0.2220  1
  O  O5  1  0.2473  0.8009  0.7845  1
  O  O6  1  0.4138  0.8645  0.2518  1
  O  O7  1  0.6138  0.1866  0.7536  1
  O  O8  1  0.7205  0.1741  0.2560  1
  O  O9  1  0.9721  0.4144  0.7542  1
]