data_LaMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   61.05
_cell_angle_beta   61.05
_cell_angle_gamma   61.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnO3
_chemical_formula_sum   'La2 Mn2 O6'
_cell_volume   119.97
_cell_formula_units_Z   2
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  0.34  1.0
  La  La1  1  0.0  0.0  0.01  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.67  1.0
  O  O4  1  0.8  0.14  0.56  1.0
  O  O5  1  0.39  0.61  0.79  1.0
  O  O6  1  0.59  0.47  0.56  1.0
  O  O7  1  0.41  0.53  0.79  1.0
  O  O8  1  0.61  0.39  0.56  1.0
  O  O9  1  0.2  0.86  0.79  1.0

data_LaMnO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   61.05
_cell_angle_beta   61.05
_cell_angle_gamma   61.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnO3
_chemical_formula_sum   'La2 Mn2 O6'
_cell_volume   119.97
_cell_formula_units_Z   2
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  0.66  1.0
  La  La1  1  0.0  0.0  0.99  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.33  1.0
  O  O4  1  0.14  0.8  0.21  1.0
  O  O5  1  0.39  0.61  0.21  1.0
  O  O6  1  0.47  0.59  0.21  1.0
  O  O7  1  0.53  0.41  0.44  1.0
  O  O8  1  0.61  0.39  0.44  1.0
  O  O9  1  0.86  0.2  0.44  1.0

La La Mn Mn O O O O O O
La La Mn Mn O O O O O O 0 4 - o o 0 1 o o o 1 2 o o o 1 9 o - - 2 9 o - - 3 4 - o o 3 9 o - o 4 8 o o o 5 7 o o o 5 9 o o o 6 8 o o o 