data_LaMnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   49.36
_cell_angle_beta   49.36
_cell_angle_gamma   49.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnAu2
_chemical_formula_sum   'La1 Mn1 Au2'
_cell_volume   89.7
_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  0.0  0.0  0.23  1.0
  Mn  Mn3  1  0.0  0.0  0.92  1.0
  Au  Au0  1  0.0  0.0  0.32  1.0
  Au  Au1  1  0.0  0.0  0.25  1.0

data_LaMnAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.01
_cell_length_b   4.62
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   118.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMnAu2
_chemical_formula_sum   'La2 Mn2 Au4'
_cell_volume   179.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.23  1.0
  Mn  Mn1  2  0.0  0.0  0.92  1.0
  Au  Au2  2  0.0  0.0  0.25  1.0
  Au  Au3  2  0.0  0.0  0.32  1.0

La Mn Au Au