data_[Tl4Cr4Se4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.7422]
_cell_length_b [5.6743]
_cell_length_c [10.7848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [TlCrSeO]
_chemical_formula_sum '[Tl4 Cr4 Se4 O4]'
_cell_volume [351.3363]
_cell_formula_units_Z [4]
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  0.2180  0.2204  0.4423  1
  Tl  Tl1  2  0.3010  0.7187  0.7459  1
  Cr  Cr2  2  0.0036  0.1797  0.0184  1
  Cr  Cr3  2  0.4993  0.6846  0.0452  1
  Se  Se4  2  0.0018  0.7186  0.2898  1
  Se  Se5  2  0.4184  0.7155  0.3216  1
  O  O6  2  0.2525  0.9302  0.9917  1
  O  O7  2  0.2530  0.4323  0.0015  1
]