data_La2AgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   134.28
_cell_angle_beta   134.28
_cell_angle_gamma   66.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AgMo
_chemical_formula_sum   'La2 Ag1 Mo1'
_cell_volume   97.43
_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  0.83  1.0
  La  La2  1  0.0  0.25  0.41  1.0
  Ag  Ag0  1  0.25  0.0  0.41  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_La2AgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.78
_cell_angle_alpha   112.86
_cell_angle_beta   112.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AgMo
_chemical_formula_sum   'La2 Ag1 Mo1'
_cell_volume   97.43
_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  0.17  0.41  0.17  1.0
  La  La1  1  0.83  0.83  0.83  1.0
  Ag  Ag2  1  0.41  0.17  0.17  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

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