data_HfMgCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.0
_cell_length_b   9.0
_cell_length_c   9.0
_cell_angle_alpha   19.13
_cell_angle_beta   19.13
_cell_angle_gamma   19.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgCu2
_chemical_formula_sum   'Hf1 Mg1 Cu2'
_cell_volume   68.4
_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  Hf2  1  0.0  0.0  0.03  1.0
  Mg  Mg3  1  0.0  0.0  0.9  1.0
  Cu  Cu0  1  0.0  0.0  0.17  1.0
  Cu  Cu1  1  0.0  0.0  0.65  1.0

data_HfMgCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   2.99
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   101.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMgCu2
_chemical_formula_sum   'Hf2 Mg2 Cu4'
_cell_volume   136.8
_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  0.97  1.0
  Mg  Mg1  2  0.0  0.0  0.1  1.0
  Cu  Cu2  2  0.0  0.0  0.35  1.0
  Cu  Cu3  2  0.0  0.0  0.83  1.0

Hf Mg Cu Cu
Hf Mg Cu Cu 0 1 o o - 0 2 o o o 1 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 