data_HfCoSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   3.32
_cell_angle_alpha   91.16
_cell_angle_beta   91.16
_cell_angle_gamma   91.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoSn2
_chemical_formula_sum   'Hf1 Co1 Sn2'
_cell_volume   76.84
_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  0.36  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.63  0.28  0.66  1.0
  Sn  Sn3  1  0.63  0.72  0.66  1.0

data_HfCoSn2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.32
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   91.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfCoSn2
_chemical_formula_sum   'Hf1 Co1 Sn2'
_cell_volume   76.88
_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  0.36  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.66  0.28  0.63  1.0

Hf Co Sn Sn
Hf Co Sn Sn 0 1 o o o 0 2 o o - 0 3 o - - 1 2 - o - 1 3 - - - 2 3 o o o 