data_[Tl2Fe1Sn1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6199]
_cell_length_b [5.9305]
_cell_length_c [5.9578]
_cell_angle_alpha [93.0845]
_cell_angle_beta [117.9020]
_cell_angle_gamma [116.4584]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2FeSnO4]
_chemical_formula_sum '[Tl2 Fe1 Sn1 O4]'
_cell_volume [148.2167]
_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  0.0300  0.7730  0.7584  1.0
  Tl  Tl1  1  0.5175  0.5030  0.0110  1.0
  Fe  Fe2  1  0.4984  0.0099  0.5106  1.0
  Sn  Sn3  1  0.9988  0.2597  0.2671  1.0
  O  O4  1  0.1245  0.6380  0.3859  1.0
  O  O5  1  0.3309  0.2149  0.2746  1.0
  O  O6  1  0.6151  0.1310  0.8980  1.0
  O  O7  1  0.8849  0.0834  0.5073  1.0
]