data_CaHf2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   5.19
_cell_angle_alpha   112.73
_cell_angle_beta   112.73
_cell_angle_gamma   30.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHf2Ge
_chemical_formula_sum   'Ca1 Hf2 Ge1'
_cell_volume   92.39
_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  0.0  0.0  1.0
  Hf  Hf2  1  0.89  0.0  0.39  1.0
  Hf  Hf3  1  0.07  0.0  0.36  1.0
  Ge  Ge1  1  0.98  0.0  0.38  1.0

data_CaHf2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.19
_cell_length_c   6.23
_cell_angle_alpha   112.73
_cell_angle_beta   105.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHf2Ge
_chemical_formula_sum   'Ca1 Hf2 Ge1'
_cell_volume   92.39
_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  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.36  0.07  1.0
  Hf  Hf2  1  0.0  0.39  0.89  1.0
  Ge  Ge3  1  0.0  0.38  0.98  1.0

Ca Hf Hf Ge