data_HfCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   134.23
_cell_angle_beta   134.23
_cell_angle_gamma   66.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCu2Os
_chemical_formula_sum   'Hf1 Cu2 Os1'
_cell_volume   58.71
_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  0.0  1.0
  Cu  Cu0  1  0.0  0.9  0.04  1.0
  Cu  Cu1  1  0.9  0.0  0.04  1.0
  Os  Os3  1  0.0  0.0  0.08  1.0

data_HfCu2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   123.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCu2Os
_chemical_formula_sum   'Hf2 Cu4 Os2'
_cell_volume   117.43
_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  0.0  1.0
  Cu  Cu1  4  0.05  0.05  0.14  1.0
  Os  Os2  2  0.0  0.0  0.08  1.0

Hf Cu Cu Os