data_La2AgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73
_cell_length_b   9.73
_cell_length_c   9.73
_cell_angle_alpha   21.29
_cell_angle_beta   21.29
_cell_angle_gamma   21.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AgMo
_chemical_formula_sum   'La2 Ag1 Mo1'
_cell_volume   106.25
_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  0.34  1.0
  La  La2  1  0.0  0.0  0.16  1.0
  Ag  Ag0  1  0.0  0.0  0.25  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_La2AgMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.22
_cell_length_b   3.59
_cell_length_c   9.73
_cell_angle_alpha   90.0
_cell_angle_beta   102.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2AgMo
_chemical_formula_sum   'La4 Ag2 Mo2'
_cell_volume   212.5
_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+1/2, y+1/2, z'
  4  '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  2  0.0  0.0  0.66  1.0
  La  La1  2  0.0  0.0  0.84  1.0
  Ag  Ag2  2  0.0  0.0  0.75  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

La La Ag Mo
La La Ag Mo 0 2 o o o 1 2 o o o 1 3 o o o 