data_HfMnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   129.94
_cell_angle_beta   129.94
_cell_angle_gamma   73.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnNi2
_chemical_formula_sum   'Hf1 Mn1 Ni2'
_cell_volume   54.75
_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  0.66  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.93  0.0  0.83  1.0
  Ni  Ni3  1  0.0  0.93  0.83  1.0

data_HfMnNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   126.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMnNi2
_chemical_formula_sum   'Hf2 Mn2 Ni4'
_cell_volume   109.51
_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  0.34  0.0  0.34  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Ni  Ni2  4  0.14  0.03  0.1  1.0

Hf Mn Ni Ni