data_LaTaGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.66
_cell_angle_alpha   108.94
_cell_angle_beta   108.94
_cell_angle_gamma   49.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaGe2
_chemical_formula_sum   'La1 Ta1 Ge2'
_cell_volume   88.91
_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
  La  La2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.27  0.0  0.65  1.0
  Ge  Ge0  1  0.91  0.0  0.79  1.0
  Ge  Ge1  1  0.64  0.0  0.5  1.0

data_LaTaGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.71
_cell_length_c   5.66
_cell_angle_alpha   108.94
_cell_angle_beta   90.0
_cell_angle_gamma   114.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaGe2
_chemical_formula_sum   'La1 Ta1 Ge2'
_cell_volume   88.91
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.73  0.35  1.0
  Ge  Ge2  1  0.0  0.09  0.21  1.0
  Ge  Ge3  1  0.0  0.36  0.5  1.0

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