data_[Tl2In5Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9008]
_cell_length_b [6.9530]
_cell_length_c [7.1285]
_cell_angle_alpha [100.0279]
_cell_angle_beta [101.1034]
_cell_angle_gamma [118.6133]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2In5Ga4]
_chemical_formula_sum '[Tl2 In5 Ga4]'
_cell_volume [280.2031]
_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
[
  Tl  Tl0  2  0.2656  0.3988  0.3008  1
  In  In1  2  0.1764  0.8390  0.1188  1
  In  In2  2  0.3870  0.2222  0.9123  1
  In  In3  1  0.0000  0.0000  0.5000  1
  Ga  Ga4  2  0.1649  0.5076  0.7355  1
  Ga  Ga5  2  0.3354  0.8482  0.5687  1
]