data_Hf3Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   146.44
_cell_angle_beta   62.15
_cell_angle_gamma   129.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Mn
_chemical_formula_sum   'Hf3 Mn1'
_cell_volume   76.99
_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  0.64  0.98  0.05  1.0
  Hf  Hf1  1  0.64  0.02  0.05  1.0
  Hf  Hf2  1  0.0  0.85  0.07  1.0
  Mn  Mn3  1  0.0  0.0  0.9  1.0

data_Hf3Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.85
_cell_length_c   5.67
_cell_angle_alpha   115.33
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Mn
_chemical_formula_sum   'Hf3 Mn1'
_cell_volume   76.99
_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  0.05  0.04  0.67  1.0
  Hf  Hf1  1  0.05  0.07  0.71  1.0
  Hf  Hf2  1  0.07  0.22  0.22  1.0
  Mn  Mn3  1  0.9  0.9  0.9  1.0

Hf Hf Hf Mn