data_LiTa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.89
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Ge
_chemical_formula_sum   'Li1 Ta2 Ge1'
_cell_volume   62.91
_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  Li1  1  0.19  0.0  0.88  1.0
  Ta  Ta2  1  0.64  0.94  0.95  1.0
  Ta  Ta3  1  0.8  0.0  0.45  1.0
  Ge  Ge0  1  0.24  0.94  0.58  1.0

data_LiTa2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.89
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Ge
_chemical_formula_sum   'Li1 Ta2 Ge1'
_cell_volume   62.91
_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  0.19  0.0  0.88  1.0
  Ta  Ta1  1  0.64  0.94  0.95  1.0
  Ta  Ta2  1  0.8  0.0  0.45  1.0
  Ge  Ge3  1  0.24  0.94  0.58  1.0

Li Ta Ta Ge