data_CoSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   12.52
_cell_length_c   4.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSi3
_chemical_formula_sum   'Co6 Si18'
_cell_volume   301.27
_cell_formula_units_Z   6
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  0.0  0.26  0.05  1.0
  Co  Co1  1  0.0  0.06  0.92  1.0
  Co  Co2  1  0.0  0.46  0.92  1.0
  Co  Co3  1  0.82  0.0  0.22  1.0
  Co  Co4  1  0.82  0.32  0.35  1.0
  Co  Co5  1  0.82  0.2  0.35  1.0
  Si  Si6  1  0.22  0.1  0.74  1.0
  Si  Si7  1  0.22  0.42  0.74  1.0
  Si  Si8  1  0.28  0.26  0.09  1.0
  Si  Si9  1  0.17  0.0  0.18  1.0
  Si  Si10  1  0.23  0.36  0.54  1.0
  Si  Si11  1  0.23  0.16  0.54  1.0
  Si  Si12  1  0.0  0.0  0.18  1.0
  Si  Si13  1  0.0  0.39  0.4  1.0
  Si  Si14  1  0.0  0.13  0.4  1.0
  Si  Si15  1  0.42  0.1  0.74  1.0
  Si  Si16  1  0.42  0.42  0.74  1.0
  Si  Si17  1  0.35  0.26  0.09  1.0
  Si  Si18  1  0.46  0.0  0.18  1.0
  Si  Si19  1  0.4  0.36  0.54  1.0
  Si  Si20  1  0.4  0.16  0.54  1.0
  Si  Si21  1  0.82  0.26  0.1  1.0
  Si  Si22  1  0.82  0.13  0.88  1.0
  Si  Si23  1  0.82  0.39  0.88  1.0

data_CoSi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   5.63
_cell_length_c   12.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSi3
_chemical_formula_sum   'Co6 Si18'
_cell_volume   301.27
_cell_formula_units_Z   6
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  0.05  0.0  0.26  1.0
  Co  Co1  1  0.22  0.82  0.0  1.0
  Co  Co2  1  0.35  0.82  0.2  1.0
  Co  Co3  1  0.35  0.82  0.32  1.0
  Co  Co4  1  0.92  0.0  0.06  1.0
  Co  Co5  1  0.92  0.0  0.46  1.0
  Si  Si6  1  0.09  0.28  0.26  1.0
  Si  Si7  1  0.09  0.35  0.26  1.0
  Si  Si8  1  0.1  0.82  0.26  1.0
  Si  Si9  1  0.18  0.0  0.0  1.0
  Si  Si10  1  0.18  0.17  0.0  1.0
  Si  Si11  1  0.18  0.46  0.0  1.0
  Si  Si12  1  0.4  0.0  0.13  1.0
  Si  Si13  1  0.4  0.0  0.39  1.0
  Si  Si14  1  0.54  0.23  0.16  1.0
  Si  Si15  1  0.54  0.23  0.36  1.0
  Si  Si16  1  0.54  0.4  0.16  1.0
  Si  Si17  1  0.54  0.4  0.36  1.0
  Si  Si18  1  0.74  0.22  0.1  1.0
  Si  Si19  1  0.74  0.22  0.42  1.0
  Si  Si20  1  0.74  0.42  0.1  1.0
  Si  Si21  1  0.74  0.42  0.42  1.0
  Si  Si22  1  0.88  0.82  0.13  1.0
  Si  Si23  1  0.88  0.82  0.39  1.0

Co Co Co Co Co Co Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si
Co Co Co Co Co Co Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si 0 21 - o o 1 22 - o o 1 12 o o + 1 6 o o o 2 23 - o o 2 7 o o o 3 12 + o o 3 18 o o o 4 21 o o o 4 13 + o o 5 14 + o o 5 21 o o o 6 11 o o o 6 15 o o o 7 10 o o o 7 16 o o o 8 17 o o o 9 12 o o o 9 18 o o o 10 19 o o o 10 13 o o o 11 20 o o o 11 14 o o o 15 20 o o o 16 19 o o o 