data_La2TaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.75
_cell_angle_alpha   99.62
_cell_angle_beta   99.62
_cell_angle_gamma   33.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaGe
_chemical_formula_sum   'La2 Ta1 Ge1'
_cell_volume   99.6
_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
  La  La1  1  0.01  0.0  0.34  1.0
  La  La2  1  0.84  0.0  0.32  1.0
  Ta  Ta3  1  0.92  0.0  0.83  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_La2TaGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.66
_cell_length_c   5.75
_cell_angle_alpha   99.62
_cell_angle_beta   90.0
_cell_angle_gamma   106.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaGe
_chemical_formula_sum   'La2 Ta1 Ge1'
_cell_volume   99.6
_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
  La  La0  1  0.0  0.16  0.68  1.0
  La  La1  1  0.0  0.99  0.66  1.0
  Ta  Ta2  1  0.0  0.08  0.17  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

La La Ta Ge
La La Ta Ge 0 1 - o o 2 3 + o + 