data_LaAg2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.78
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAg2Mo
_chemical_formula_sum   'La1 Ag2 Mo1'
_cell_volume   82.94
_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  0.92  0.39  0.94  1.0
  Ag  Ag0  1  0.31  0.39  0.87  1.0
  Ag  Ag1  1  0.31  0.0  0.38  1.0
  Mo  Mo3  1  0.64  0.0  0.76  1.0

data_LaAg2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.78
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAg2Mo
_chemical_formula_sum   'La1 Ag2 Mo1'
_cell_volume   82.94
_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  0.92  0.39  0.94  1.0
  Ag  Ag1  1  0.31  0.39  0.87  1.0
  Ag  Ag2  1  0.31  0.0  0.38  1.0
  Mo  Mo3  1  0.64  0.0  0.76  1.0

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