data_[Ba2Tl2Cr2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8232]
_cell_length_b [5.9319]
_cell_length_c [8.4205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaTlCrO4]
_chemical_formula_sum '[Ba2 Tl2 Cr2 O8]'
_cell_volume [312.1341]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.3538  0.7500  0.6118  1.0
  Tl  Tl1  2  0.0227  0.2500  0.8749  1.0
  Cr  Cr2  2  0.1274  0.2500  0.3540  1.0
  O  O3  4  0.2716  0.0145  0.3327  1.0
  O  O4  2  0.1210  0.7500  0.8110  1.0
  O  O5  2  0.1308  0.2500  0.5569  1.0
]