data_LaMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.21
_cell_length_b   14.21
_cell_length_c   14.21
_cell_angle_alpha   162.64
_cell_angle_beta   162.64
_cell_angle_gamma   24.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2
_chemical_formula_sum   'La4 Mn8'
_cell_volume   255.36
_cell_formula_units_Z   4
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  0.09  1.0
  La  La1  1  0.0  0.0  0.67  1.0
  La  La2  1  0.0  0.14  0.03  1.0
  La  La3  1  0.0  0.14  0.85  1.0
  Mn  Mn4  1  0.0  0.0  0.94  1.0
  Mn  Mn5  1  0.0  0.0  0.82  1.0
  Mn  Mn6  1  0.0  0.14  0.88  1.0
  Mn  Mn7  1  0.0  0.14  0.0  1.0
  Mn  Mn8  1  0.0  0.0  0.53  1.0
  Mn  Mn9  1  0.0  0.0  0.23  1.0
  Mn  Mn10  1  0.14  0.0  0.59  1.0
  Mn  Mn11  1  0.14  0.0  0.29  1.0

data_LaMn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   14.21
_cell_angle_alpha   98.68
_cell_angle_beta   98.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2
_chemical_formula_sum   'La4 Mn8'
_cell_volume   255.36
_cell_formula_units_Z   4
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  0.11  0.14  0.11  1.0
  La  La1  1  0.3  0.14  0.3  1.0
  La  La2  1  0.33  0.0  0.33  1.0
  La  La3  1  0.91  0.0  0.91  1.0
  Mn  Mn4  1  0.06  0.0  0.06  1.0
  Mn  Mn5  1  0.14  0.14  0.14  1.0
  Mn  Mn6  1  0.18  0.0  0.18  1.0
  Mn  Mn7  1  0.27  0.14  0.27  1.0
  Mn  Mn8  1  0.41  0.0  0.56  1.0
  Mn  Mn9  1  0.47  0.0  0.47  1.0
  Mn  Mn10  1  0.71  0.0  0.85  1.0
  Mn  Mn11  1  0.77  0.0  0.77  1.0

La La La La Mn Mn Mn Mn Mn Mn Mn Mn
La La La La Mn Mn Mn Mn Mn Mn Mn Mn 0 11 o o o 1 3 o o o 2 7 o o o 2 4 o o - 3 6 o o o 5 7 o o + 8 10 o o o 9 11 o o o 