data_NaMnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnBi
_chemical_formula_sum   'Na2 Mn2 Bi2'
_cell_volume   155.52
_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
  Na  Na4  1  0.25  0.0  0.66  1.0
  Na  Na5  1  0.0  0.25  0.04  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.25  0.25  0.0  1.0
  Bi  Bi0  1  0.0  0.25  0.75  1.0
  Bi  Bi1  1  0.25  0.0  0.95  1.0

data_NaMnBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaMnBi
_chemical_formula_sum   'Na4 Mn4 Bi4'
_cell_volume   311.04
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.0  0.0  0.04  1.0
  Na  Na1  2  0.25  0.0  0.66  1.0
  Mn  Mn2  4  0.12  0.12  0.0  1.0
  Bi  Bi3  2  0.0  0.0  0.75  1.0
  Bi  Bi4  2  0.25  0.0  0.95  1.0

Na Na Mn Mn Bi Bi
Na Na Mn Mn Bi Bi 0 4 o o o 1 2 o o o 1 3 o o o 2 5 o o - 3 5 o o - 