data_Hf2CrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   145.98
_cell_angle_beta   131.6
_cell_angle_gamma   60.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrOs
_chemical_formula_sum   'Hf2 Cr1 Os1'
_cell_volume   67.81
_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  0.6  0.0  0.65  1.0
  Hf  Hf2  1  0.0  0.0  0.18  1.0
  Cr  Cr0  1  0.0  0.0  0.24  1.0
  Os  Os3  1  0.6  0.0  0.11  1.0

data_Hf2CrOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.48
_cell_length_c   5.47
_cell_angle_alpha   114.2
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrOs
_chemical_formula_sum   'Hf2 Cr1 Os1'
_cell_volume   67.81
_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  0.0  0.18  0.18  1.0
  Hf  Hf1  1  0.0  0.65  0.05  1.0
  Cr  Cr2  1  0.0  0.24  0.24  1.0
  Os  Os3  1  0.0  0.11  0.51  1.0

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