data_[La4Ta4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ta  1.5000  1.4500  0.8200
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7068]
_cell_length_b [6.7789]
_cell_length_c [7.2634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaTaBrO4]
_chemical_formula_sum '[La4 Ta4 Br4 O16]'
_cell_volume [607.5588]
_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
[
  La  La0  4  0.2096  0.5000  0.8305  1
  Ta  Ta1  4  0.1259  0.5000  0.2481  1
  Br  Br2  4  0.0112  0.0000  0.6622  1
  O  O3  8  0.1789  0.2889  0.1264  1
  O  O4  4  0.0241  0.5000  0.7931  1
  O  O5  4  0.1886  0.5000  0.5056  1
]