data_CoSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSi3
_chemical_formula_sum   'Co2 Si6'
_cell_volume   100.87
_cell_formula_units_Z   2
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
  Co  Co0  1  0.61  0.51  0.19  1.0
  Co  Co1  1  0.0  0.02  0.06  1.0
  Si  Si2  1  0.28  0.76  0.19  1.0
  Si  Si3  1  0.72  0.76  0.19  1.0
  Si  Si4  1  0.0  0.54  0.19  1.0
  Si  Si5  1  0.33  0.77  0.06  1.0
  Si  Si6  1  0.9  0.77  0.06  1.0
  Si  Si7  1  0.61  0.99  0.06  1.0

data_CoSi3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.26
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoSi3
_chemical_formula_sum   'Co2 Si6'
_cell_volume   100.87
_cell_formula_units_Z   2
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
  Co  Co0  2  0.06  0.31  0.25  1.0
  Si  Si1  2  0.06  0.41  0.5  1.0
  Si  Si2  2  0.06  0.69  0.27  1.0
  Si  Si3  2  0.06  0.98  0.5  1.0

Co Co Si Si Si Si Si Si
Co Co Si Si Si Si Si Si 0 3 o o o 1 6 - - o 2 5 o o o 2 4 o o o 2 7 o o o 3 6 o o o 3 7 o o o 4 6 - o o 4 5 o o o 5 7 o o o 