data_HfCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05
_cell_length_b   9.05
_cell_length_c   9.05
_cell_angle_alpha   17.74
_cell_angle_beta   17.74
_cell_angle_gamma   17.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCu2Os
_chemical_formula_sum   'Hf1 Cu2 Os1'
_cell_volume   60.01
_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  0.38  1.0
  Cu  Cu0  1  0.0  0.0  0.66  1.0
  Cu  Cu1  1  0.0  0.0  0.86  1.0
  Os  Os3  1  0.0  0.0  0.87  1.0

data_HfCu2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   2.79
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   100.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCu2Os
_chemical_formula_sum   'Hf2 Cu4 Os2'
_cell_volume   120.02
_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  0.62  1.0
  Cu  Cu1  2  0.0  0.0  0.14  1.0
  Cu  Cu2  2  0.0  0.0  0.34  1.0
  Os  Os3  2  0.0  0.0  0.13  1.0

Hf Cu Cu Os