data_HfMo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMo2Cl
_chemical_formula_sum   'Hf1 Mo2 Cl1'
_cell_volume   70.17
_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  0.53  0.0  0.0  1.0
  Mo  Mo2  1  0.26  0.69  0.5  1.0
  Mo  Mo3  1  0.26  0.31  0.5  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_HfMo2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.06
_cell_length_b   3.0
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   118.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfMo2Cl
_chemical_formula_sum   'Hf1 Mo2 Cl1'
_cell_volume   70.17
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.47  1.0
  Mo  Mo1  1  0.31  0.5  0.05  1.0
  Mo  Mo2  1  0.69  0.5  0.42  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hf Mo Mo Cl