data_CaHfMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.32
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   102.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHfMo2
_chemical_formula_sum   'Ca1 Hf1 Mo2'
_cell_volume   86.49
_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  0.9  0.0  0.1  1.0
  Hf  Hf1  1  0.67  0.16  0.3  1.0
  Mo  Mo2  1  0.95  0.0  0.13  1.0
  Mo  Mo3  1  0.11  0.16  0.21  1.0

data_CaHfMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.32
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   102.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHfMo2
_chemical_formula_sum   'Ca1 Hf1 Mo2'
_cell_volume   86.49
_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  0.9  0.0  0.1  1.0
  Hf  Hf1  1  0.67  0.16  0.3  1.0
  Mo  Mo2  1  0.11  0.16  0.21  1.0
  Mo  Mo3  1  0.95  0.0  0.13  1.0

Ca Hf Mo Mo