data_BaNaMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   3.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaMn2
_chemical_formula_sum   'Ba1 Na1 Mn2'
_cell_volume   116.27
_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
  Ba  Ba0  1  0.44  0.0  0.0  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.72  0.76  0.88  1.0
  Mn  Mn2  1  0.72  0.24  0.88  1.0

data_BaNaMn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   105.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaMn2
_chemical_formula_sum   'Ba1 Na1 Mn2'
_cell_volume   116.27
_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
  Ba  Ba0  1  -0.0  0.44  0.0  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.88  0.72  0.24  1.0
  Mn  Mn3  1  0.88  0.72  0.76  1.0

Ba Na Mn Mn
Ba Na Mn Mn 0 3 o o - 1 2 - - - 