data_HfMo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   7.21
_cell_angle_alpha   158.26
_cell_angle_beta   141.84
_cell_angle_gamma   44.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMo4
_chemical_formula_sum   'Hf1 Mo4'
_cell_volume   85.53
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.33  1.0
  Mo  Mo2  1  0.0  0.0  0.6  1.0
  Mo  Mo3  1  0.0  0.0  0.75  1.0
  Mo  Mo4  1  0.0  0.0  0.02  1.0

data_HfMo4
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.71
_cell_length_c   7.21
_cell_angle_alpha   109.08
_cell_angle_beta   100.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMo4
_chemical_formula_sum   'Hf1 Mo4'
_cell_volume   85.53
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.25  0.25  0.25  1.0
  Mo  Mo2  1  0.4  0.4  0.4  1.0
  Mo  Mo3  1  0.67  0.67  0.67  1.0
  Mo  Mo4  1  0.98  0.98  0.98  1.0

Hf Mo Mo Mo Mo