data_LaMn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   23.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn5
_chemical_formula_sum   'La1 Mn5'
_cell_volume   101.32
_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  0.08  0.0  0.2  1.0
  Mn  Mn1  1  0.08  0.0  0.61  1.0
  Mn  Mn2  1  0.08  0.0  0.42  1.0
  Mn  Mn3  1  0.0  0.0  0.2  1.0
  Mn  Mn4  1  0.0  0.0  0.28  1.0
  Mn  Mn5  1  0.0  0.0  0.66  1.0

data_LaMn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.16
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   101.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn5
_chemical_formula_sum   'La1 Mn5'
_cell_volume   101.32
_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  0.8  0.08  0.8  1.0
  Mn  Mn1  1  0.34  0.0  0.34  1.0
  Mn  Mn2  1  0.39  0.08  0.39  1.0
  Mn  Mn3  1  0.58  0.08  0.58  1.0
  Mn  Mn4  1  0.72  0.0  0.72  1.0
  Mn  Mn5  1  0.8  0.0  0.8  1.0

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