data_LaMoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   148.89
_cell_angle_beta   143.08
_cell_angle_gamma   49.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMoAu
_chemical_formula_sum   'La1 Mo1 Au1'
_cell_volume   68.66
_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  0.36  1.0
  Mo  Mo2  1  0.0  0.0  0.02  1.0
  Au  Au0  1  0.0  0.0  0.67  1.0

data_LaMoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.84
_cell_length_c   6.06
_cell_angle_alpha   108.46
_cell_angle_beta   105.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMoAu
_chemical_formula_sum   'La1 Mo1 Au1'
_cell_volume   68.66
_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  0.64  0.64  0.64  1.0
  Mo  Mo1  1  0.98  0.98  0.98  1.0
  Au  Au2  1  0.33  0.33  0.33  1.0

La Mo Au
La Mo Au 0 1 o o o 0 2 o o o 1 2 o o - 