data_LaNi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   3.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi2Au
_chemical_formula_sum   'La1 Ni2 Au1'
_cell_volume   70.99
_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  0.0  1.0
  Ni  Ni2  1  0.5  0.57  0.89  1.0
  Ni  Ni3  1  0.5  0.43  0.89  1.0
  Au  Au0  1  0.01  0.0  0.0  1.0

data_LaNi2Au
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   3.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   LaNi2Au
_chemical_formula_sum   'La1 Ni2 Au1'
_cell_volume   71.05
_cell_formula_units_Z   1
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'
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  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.5  0.43  0.89  1.0
  Au  Au2  1  0.0  0.0  0.0  1.0

La Ni Ni Au