data_CaHf2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.98
_cell_angle_alpha   115.62
_cell_angle_beta   115.62
_cell_angle_gamma   31.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHf2Zn
_chemical_formula_sum   'Ca1 Hf2 Zn1'
_cell_volume   93.06
_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
  Ca  Ca0  1  0.71  0.0  0.86  1.0
  Hf  Hf1  1  0.22  0.0  0.1  1.0
  Hf  Hf2  1  0.22  0.0  0.29  1.0
  Zn  Zn3  1  0.73  0.0  0.11  1.0

data_CaHf2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.74
_cell_length_c   5.98
_cell_angle_alpha   115.62
_cell_angle_beta   90.0
_cell_angle_gamma   105.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHf2Zn
_chemical_formula_sum   'Ca1 Hf2 Zn1'
_cell_volume   93.06
_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
  Ca  Ca0  1  0.0  0.29  0.14  1.0
  Hf  Hf1  1  0.0  0.78  0.71  1.0
  Hf  Hf2  1  0.0  0.78  0.9  1.0
  Zn  Zn3  1  0.0  0.27  0.89  1.0

Ca Hf Hf Zn