data_LaMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   142.98
_cell_angle_beta   131.99
_cell_angle_gamma   62.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn
_chemical_formula_sum   'La2 Mn2'
_cell_volume   97.1
_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  0.23  0.25  1.0
  La  La1  1  0.91  0.23  0.92  1.0
  Mn  Mn2  1  0.0  0.23  0.67  1.0
  Mn  Mn3  1  0.91  0.23  0.5  1.0

data_LaMn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.83
_cell_length_b   4.91
_cell_length_c   6.03
_cell_angle_alpha   114.01
_cell_angle_beta   108.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaMn
_chemical_formula_sum   'La2 Mn2'
_cell_volume   97.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.5  0.33  0.37  1.0
  Mn  Mn1  2  0.5  0.08  0.04  1.0

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