data_[Ba2Ca2Tl2W3O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0386]
_cell_length_b [4.1809]
_cell_length_c [19.8946]
_cell_angle_alpha [95.6553]
_cell_angle_beta [94.9454]
_cell_angle_gamma [90.1509]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba2Ca2Tl2W3O10]
_chemical_formula_sum '[Ba2 Ca2 Tl2 W3 O10]'
_cell_volume [333.0266]
_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
[
  Ba  Ba0  1  0.1474  0.0784  0.3206  1
  Ba  Ba1  1  0.8568  0.7725  0.6820  1
  Ca  Ca2  1  0.0407  0.9784  0.0955  1
  Ca  Ca3  1  0.9645  0.8928  0.9052  1
  Tl  Tl4  1  0.2750  0.2405  0.5558  1
  Tl  Tl5  1  0.7201  0.6880  0.4459  1
  W  W6  1  0.4304  0.3506  0.8228  1
  W  W7  1  0.5031  0.4342  0.0000  1
  W  W8  1  0.5763  0.5156  0.1782  1
  O  O9  1  0.0032  0.4331  0.0001  1
  O  O10  1  0.0667  0.5056  0.1558  1
  O  O11  1  0.2229  0.2896  0.4370  1
  O  O12  1  0.3917  0.2828  0.7246  1
  O  O13  1  0.4374  0.8571  0.8397  1
  O  O14  1  0.5033  0.9342  1.0000  1
  O  O15  1  0.5678  0.0060  0.1607  1
  O  O16  1  0.6172  0.5469  0.2763  1
  O  O17  1  0.7637  0.8405  0.5644  1
  O  O18  1  0.9388  0.3633  0.8445  1
]