data_[Li1Ta2W1]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7145]
_cell_length_b [4.6678]
_cell_length_c [5.3609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiTa2W]
_chemical_formula_sum '[Li1 Ta2 W1]'
_cell_volume [67.2003]
_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  0.2706  0.5000  0.7494  1
  Ta  Ta1  1  0.0232  0.0000  0.9974  1
  Ta  Ta2  1  0.7335  0.5000  0.2604  1
  W  W3  1  0.4727  0.0000  0.4928  1
]