data_[Tl2In1Bi1O4]
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
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9770]
_cell_length_b [5.9833]
_cell_length_c [6.2587]
_cell_angle_alpha [116.0979]
_cell_angle_beta [92.5944]
_cell_angle_gamma [118.6637]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2InBiO4]
_chemical_formula_sum '[Tl2 In1 Bi1 O4]'
_cell_volume [166.7820]
_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  1  0.7402  0.0092  0.7512  1.0
  Tl  Tl1  1  0.9996  0.5174  0.4853  1.0
  In  In2  1  0.2775  0.0096  0.2679  1.0
  Bi  Bi3  1  0.4716  0.4761  0.9966  1.0
  O  O4  1  0.3390  0.3992  0.3022  1.0
  O  O5  1  0.3899  0.0648  0.6181  1.0
  O  O6  1  0.5105  0.8965  0.0586  1.0
  O  O7  1  0.8847  0.6273  0.1329  1.0
]