data_LaMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66
_cell_length_b   9.66
_cell_length_c   3.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   160.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2
_chemical_formula_sum   'La2 Mn4'
_cell_volume   121.43
_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  0.61  0.39  0.99  1.0
  La  La1  1  0.61  0.61  0.97  1.0
  Mn  Mn2  1  0.61  0.02  0.99  1.0
  Mn  Mn3  1  0.61  0.37  0.99  1.0
  Mn  Mn4  1  0.61  0.63  0.97  1.0
  Mn  Mn5  1  0.61  0.98  0.97  1.0

data_LaMn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.21
_cell_length_b   3.96
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   99.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaMn2
_chemical_formula_sum   'La2 Mn4'
_cell_volume   121.43
_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  0.39  0.99  0.39  1.0
  Mn  Mn1  2  0.02  0.99  0.02  1.0
  Mn  Mn2  2  0.37  0.99  0.37  1.0

La La Mn Mn Mn Mn
La La Mn Mn Mn Mn 0 3 o o o 1 4 o o o 2 5 o - o 