[CIF]
data_LiTa2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20952004
_cell_length_b   3.20952004
_cell_length_c   6.25790669
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Se
_chemical_formula_sum   'Li1 Ta2 Se1'
_cell_volume   64.46281501
_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
  Li  Li0  1  0.00000000  0.00000000  0.00000000  1
  Se  Se1  1  0.00000000  0.00000000  3.12895335  1
  Ta  Ta2  1  1.60476002  1.60476002  4.75274327  1
  Ta  Ta3  1  1.60476002  1.60476002  1.50516342  1
[/CIF]
