data_LaMnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.68
_cell_angle_alpha   113.24
_cell_angle_beta   113.24
_cell_angle_gamma   54.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnAu2
_chemical_formula_sum   'La1 Mn1 Au2'
_cell_volume   86.83
_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  0.97  0.0  0.6  1.0
  Mn  Mn3  1  0.06  0.0  0.8  1.0
  Au  Au0  1  0.56  0.0  0.62  1.0
  Au  Au1  1  0.44  0.0  0.72  1.0

data_LaMnAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.58
_cell_length_c   5.68
_cell_angle_alpha   113.24
_cell_angle_beta   90.0
_cell_angle_gamma   117.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnAu2
_chemical_formula_sum   'La1 Mn1 Au2'
_cell_volume   86.83
_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  0.0  0.03  0.4  1.0
  Mn  Mn1  1  0.0  0.94  0.2  1.0
  Au  Au2  1  0.0  0.44  0.38  1.0
  Au  Au3  1  0.0  0.56  0.28  1.0

La Mn Au Au