data_Hf2CrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   140.26
_cell_angle_beta   140.26
_cell_angle_gamma   57.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrSe
_chemical_formula_sum   'Hf2 Cr1 Se1'
_cell_volume   70.87
_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  0.9  0.0  0.45  1.0
  Hf  Hf2  1  0.0  0.0  0.9  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.9  0.45  1.0

data_Hf2CrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   5.59
_cell_angle_alpha   109.87
_cell_angle_beta   109.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrSe
_chemical_formula_sum   'Hf2 Cr1 Se1'
_cell_volume   70.87
_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  0.45  0.55  0.55  1.0
  Hf  Hf1  1  0.9  0.9  0.9  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.55  0.45  0.55  1.0

Hf Hf Cr Se