data_HfMn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   140.46
_cell_angle_beta   131.59
_cell_angle_gamma   64.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Sn
_chemical_formula_sum   'Hf1 Mn2 Sn1'
_cell_volume   66.93
_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  0.14  0.28  1.0
  Mn  Mn1  1  0.0  0.0  0.11  1.0
  Mn  Mn2  1  0.77  0.0  0.12  1.0
  Sn  Sn3  1  0.0  0.0  0.34  1.0

data_HfMn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.28
_cell_length_c   5.22
_cell_angle_alpha   114.21
_cell_angle_beta   109.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Sn
_chemical_formula_sum   'Hf1 Mn2 Sn1'
_cell_volume   66.93
_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  0.86  0.13  0.13  1.0
  Mn  Mn1  1  0.0  0.11  0.11  1.0
  Mn  Mn2  1  0.0  0.12  0.36  1.0
  Sn  Sn3  1  0.0  0.34  0.34  1.0

Hf Mn Mn Sn