data_La2GeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25
_cell_length_b   9.25
_cell_length_c   9.25
_cell_angle_alpha   23.09
_cell_angle_beta   23.09
_cell_angle_gamma   23.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2GeMo
_chemical_formula_sum   'La2 Ge1 Mo1'
_cell_volume   106.86
_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  0.0  0.0  0.67  1.0
  La  La2  1  0.0  0.0  0.33  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.5  1.0

data_La2GeMo
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.41
_cell_length_b   3.7
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   103.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   La2GeMo
_chemical_formula_sum   'La4 Ge2 Mo2'
_cell_volume   213.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.0  0.0  0.33  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.5  1.0

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