data_Hf2MnSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77
_cell_length_b   8.77
_cell_length_c   8.77
_cell_angle_alpha   20.21
_cell_angle_beta   20.21
_cell_angle_gamma   20.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MnSi
_chemical_formula_sum   'Hf2 Mn1 Si1'
_cell_volume   70.37
_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  0.0  0.0  0.19  1.0
  Hf  Hf1  1  0.0  0.0  0.24  1.0
  Mn  Mn2  1  0.0  0.0  0.6  1.0
  Si  Si3  1  0.0  0.0  0.59  1.0

data_Hf2MnSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   3.08
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   101.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2MnSi
_chemical_formula_sum   'Hf4 Mn2 Si2'
_cell_volume   140.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.76  1.0
  Hf  Hf1  2  0.0  0.0  0.81  1.0
  Mn  Mn2  2  0.0  0.0  0.4  1.0
  Si  Si3  2  0.0  0.0  0.41  1.0

Hf Hf Mn Si