data_Hf2CrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   5.43
_cell_angle_alpha   99.94
_cell_angle_beta   99.94
_cell_angle_gamma   39.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrOs
_chemical_formula_sum   'Hf2 Cr1 Os1'
_cell_volume   69.29
_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  0.36  0.0  0.01  1.0
  Hf  Hf2  1  0.11  0.0  0.32  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.74  0.0  0.67  1.0

data_Hf2CrOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.5
_cell_length_c   5.43
_cell_angle_alpha   99.94
_cell_angle_beta   90.0
_cell_angle_gamma   109.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrOs
_chemical_formula_sum   'Hf2 Cr1 Os1'
_cell_volume   69.29
_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  0.64  0.99  1.0
  Hf  Hf1  1  0.0  0.89  0.68  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.26  0.33  1.0

Hf Hf Cr Os