data_La3Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   11.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Mn
_chemical_formula_sum   'La3 Mn1'
_cell_volume   127.57
_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  0.83  0.06  0.34  1.0
  La  La1  1  0.83  0.06  0.68  1.0
  La  La2  1  0.0  0.0  0.51  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

data_La3Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   11.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Mn
_chemical_formula_sum   'La3 Mn1'
_cell_volume   127.57
_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  0.0  0.51  1.0
  La  La1  1  0.83  0.06  0.34  1.0
  La  La2  1  0.83  0.06  0.68  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

La La La Mn
La La La Mn 0 2 + o o 0 3 + o o 1 2 + o o 1 3 + o + 3 3 + + o 3 3 o + o 3 3 + o o 