data_Ba2HfMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   4.59
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   95.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfMn
_chemical_formula_sum   'Ba2 Hf1 Mn1'
_cell_volume   128.86
_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  0.32  0.29  0.99  1.0
  Ba  Ba1  1  0.7  0.0  0.22  1.0
  Hf  Hf2  1  0.2  0.29  0.37  1.0
  Mn  Mn3  1  0.56  0.0  0.02  1.0

data_Ba2HfMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.59
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   95.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfMn
_chemical_formula_sum   'Ba2 Hf1 Mn1'
_cell_volume   128.86
_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  0.32  0.29  0.99  1.0
  Ba  Ba1  1  0.7  0.0  0.22  1.0
  Hf  Hf2  1  0.2  0.29  0.37  1.0
  Mn  Mn3  1  0.56  0.0  0.02  1.0

Ba Ba Hf Mn