data_HfMn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   4.22
_cell_angle_alpha   122.5
_cell_angle_beta   119.49
_cell_angle_gamma   88.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Si
_chemical_formula_sum   'Hf1 Mn2 Si1'
_cell_volume   52.35
_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  0.03  1.0
  Mn  Mn1  1  0.03  0.0  0.49  1.0
  Mn  Mn2  1  0.0  0.13  0.54  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_HfMn2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.22
_cell_length_c   4.22
_cell_angle_alpha   60.51
_cell_angle_beta   61.25
_cell_angle_gamma   61.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Si
_chemical_formula_sum   'Hf1 Mn2 Si1'
_cell_volume   52.35
_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  0.03  1.0
  Mn  Mn1  1  0.0  0.97  0.49  1.0
  Mn  Mn2  1  0.13  0.0  0.41  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Hf Mn Mn Si