data_HfCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   4.2
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   100.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCu2Os
_chemical_formula_sum   'Hf1 Cu2 Os1'
_cell_volume   59.56
_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  0.92  0.0  0.5  1.0
  Cu  Cu0  1  0.4  0.0  0.1  1.0
  Cu  Cu1  1  0.31  0.1  0.21  1.0
  Os  Os3  1  0.99  0.1  0.97  1.0

data_HfCu2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.2
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   100.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCu2Os
_chemical_formula_sum   'Hf1 Cu2 Os1'
_cell_volume   59.56
_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  0.92  0.0  0.5  1.0
  Cu  Cu1  1  0.31  0.1  0.21  1.0
  Cu  Cu2  1  0.4  0.0  0.1  1.0
  Os  Os3  1  0.99  0.1  0.97  1.0

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