data_HfCoSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoSi2
_chemical_formula_sum   'Hf1 Co1 Si2'
_cell_volume   55.21
_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  0.0  0.0  0.27  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.0  0.0  0.24  1.0
  Si  Si3  1  0.0  0.0  0.3  1.0

data_HfCoSi2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.0
_cell_length_b   4.22
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   HfCoSi2
_chemical_formula_sum   'Hf2 Co2 Si4'
_cell_volume   110.41
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.0  0.0  0.73  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Si  Si2  2  0.0  0.0  0.7  1.0
  Si  Si3  2  0.0  0.0  0.76  1.0

Hf Co Si Si
Hf Co Si Si 0 2 o o o 0 3 o o o 0 1 o o o 1 2 o o o 