data_Hf2MnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   147.91
_cell_angle_beta   142.21
_cell_angle_gamma   50.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MnB
_chemical_formula_sum   'Hf2 Mn1 B1'
_cell_volume   61.94
_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
  Hf  Hf1  1  0.59  0.0  0.06  1.0
  Hf  Hf2  1  0.0  0.0  0.73  1.0
  Mn  Mn3  1  0.0  0.87  0.53  1.0
  B  B0  1  0.0  0.0  0.1  1.0

data_Hf2MnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.73
_cell_length_c   5.76
_cell_angle_alpha   108.9
_cell_angle_beta   106.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MnB
_chemical_formula_sum   'Hf2 Mn1 B1'
_cell_volume   61.94
_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
  Hf  Hf0  1  0.27  0.27  0.27  1.0
  Hf  Hf1  1  0.53  0.94  0.53  1.0
  Mn  Mn2  1  0.47  0.33  0.33  1.0
  B  B3  1  0.9  0.9  0.9  1.0

Hf Hf Mn B