data_[Li2Ta2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3067]
_cell_length_b [3.2650]
_cell_length_c [6.6611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiTaBr2]
_chemical_formula_sum '[Li2 Ta2 Br4]'
_cell_volume [182.9162]
_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
[
  Li  Li0  2  0.0394  0.5000  0.4874  1
  Ta  Ta1  2  0.2466  0.0000  0.9136  1
  Br  Br2  2  0.2753  0.5000  0.2505  1
  Br  Br3  2  0.4388  0.5000  0.8484  1
]