data_Ba2LiMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   6.96
_cell_angle_alpha   148.52
_cell_angle_beta   132.25
_cell_angle_gamma   58.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiMn
_chemical_formula_sum   'Ba2 Li1 Mn1'
_cell_volume   129.2
_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  0.0  0.56  1.0
  Ba  Ba1  1  0.0  0.82  0.0  1.0
  Li  Li2  1  0.0  0.0  0.29  1.0
  Mn  Mn3  1  0.89  0.0  0.3  1.0

data_Ba2LiMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   5.63
_cell_length_c   6.96
_cell_angle_alpha   113.88
_cell_angle_beta   105.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiMn
_chemical_formula_sum   'Ba2 Li1 Mn1'
_cell_volume   129.2
_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  0.56  0.56  1.0
  Ba  Ba1  1  0.18  0.18  0.18  1.0
  Li  Li2  1  0.0  0.29  0.29  1.0
  Mn  Mn3  1  0.0  0.3  0.41  1.0

Ba Ba Li Mn