data_Ba2MgMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   147.79
_cell_angle_beta   129.84
_cell_angle_gamma   60.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MgMn
_chemical_formula_sum   'Ba2 Mg1 Mn1'
_cell_volume   132.89
_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  0.27  1.0
  Ba  Ba1  1  0.91  0.0  0.06  1.0
  Mg  Mg2  1  0.0  0.0  0.73  1.0
  Mn  Mn3  1  0.0  0.92  0.71  1.0

data_Ba2MgMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   5.85
_cell_length_c   6.89
_cell_angle_alpha   115.08
_cell_angle_beta   106.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MgMn
_chemical_formula_sum   'Ba2 Mg1 Mn1'
_cell_volume   132.89
_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  0.73  0.73  0.73  1.0
  Ba  Ba1  1  0.85  0.94  0.85  1.0
  Mg  Mg2  1  0.27  0.27  0.27  1.0
  Mn  Mn3  1  0.29  0.21  0.21  1.0

Ba Ba Mg Mn