data_HfIn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Se
_chemical_formula_sum   'Hf1 In2 Se1'
_cell_volume   89.95
_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  0.83  1.0
  In  In1  1  0.99  0.99  0.27  1.0
  In  In2  1  0.99  0.99  0.38  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_HfIn2Se
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   HfIn2Se
_chemical_formula_sum   'Hf1 In2 Se1'
_cell_volume   89.95
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.83  1.0
  In  In1  1  0.0  0.0  0.27  1.0
  In  In2  1  0.0  0.0  0.38  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Hf In In Se
Hf In In Se 0 3 o o + 1 2 o o o 