data_LiTaZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   152.93
_cell_angle_beta   129.07
_cell_angle_gamma   58.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaZn2
_chemical_formula_sum   'Li1 Ta1 Zn2'
_cell_volume   63.77
_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  0.0  0.0  0.14  1.0
  Ta  Ta1  1  0.33  0.0  0.32  1.0
  Zn  Zn2  1  0.0  0.0  0.75  1.0
  Zn  Zn3  1  0.0  0.44  0.54  1.0

data_LiTaZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.87
_cell_length_c   5.66
_cell_angle_alpha   115.47
_cell_angle_beta   103.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaZn2
_chemical_formula_sum   'Li1 Ta1 Zn2'
_cell_volume   63.77
_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  0.86  0.86  0.86  1.0
  Ta  Ta1  1  0.0  0.68  0.0  1.0
  Zn  Zn2  1  0.25  0.25  0.25  1.0
  Zn  Zn3  1  0.46  0.89  0.89  1.0

Li Ta Zn Zn