data_HfCoNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   132.93
_cell_angle_beta   132.93
_cell_angle_gamma   68.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoNi2
_chemical_formula_sum   'Hf1 Co1 Ni2'
_cell_volume   52.12
_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  Hf1  1  0.0  0.0  0.82  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.85  0.91  1.0
  Ni  Ni3  1  0.85  0.0  0.91  1.0

data_HfCoNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   124.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCoNi2
_chemical_formula_sum   'Hf2 Co2 Ni4'
_cell_volume   104.25
_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  0.18  0.0  0.18  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Ni  Ni2  4  0.01  0.08  0.94  1.0

Hf Co Ni Ni