data_HfCo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   6.38
_cell_angle_alpha   91.3
_cell_angle_beta   91.3
_cell_angle_gamma   59.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo2Cl
_chemical_formula_sum   'Hf1 Co2 Cl1'
_cell_volume   73.72
_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  Hf3  1  0.34  0.0  0.57  1.0
  Co  Co1  1  0.45  0.0  0.68  1.0
  Co  Co2  1  0.22  0.0  0.93  1.0
  Cl  Cl0  1  0.47  0.0  0.76  1.0

data_HfCo2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.66
_cell_length_b   6.31
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   91.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCo2Cl
_chemical_formula_sum   'Hf2 Co4 Cl2'
_cell_volume   147.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.16  0.5  0.43  1.0
  Co  Co1  2  0.05  0.5  0.32  1.0
  Co  Co2  2  0.28  0.5  0.07  1.0
  Cl  Cl3  2  0.03  0.5  0.24  1.0

Hf Co Co Cl