data_Sc2Co3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   5.34
_cell_angle_alpha   108.64
_cell_angle_beta   108.64
_cell_angle_gamma   94.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Co3Si5
_chemical_formula_sum   'Sc4 Co6 Si10'
_cell_volume   275.94
_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
  Sc  Sc6  1  0.79  0.57  0.47  1.0
  Sc  Sc7  1  0.88  0.57  0.6  1.0
  Sc  Sc8  1  0.14  0.43  0.25  1.0
  Sc  Sc9  1  0.04  0.43  0.11  1.0
  Co  Co0  1  0.03  0.43  0.11  1.0
  Co  Co1  1  0.64  0.43  0.96  1.0
  Co  Co2  1  0.9  0.57  0.6  1.0
  Co  Co3  1  0.28  0.57  0.75  1.0
  Co  Co4  1  0.34  0.41  0.54  1.0
  Co  Co5  1  0.59  0.59  0.18  1.0
  Si  Si10  1  0.1  0.93  0.16  1.0
  Si  Si11  1  0.58  0.93  0.91  1.0
  Si  Si12  1  0.83  0.07  0.56  1.0
  Si  Si13  1  0.35  0.07  0.8  1.0
  Si  Si14  1  0.34  0.73  0.54  1.0
  Si  Si15  1  0.59  0.27  0.18  1.0
  Si  Si16  1  0.34  0.16  0.54  1.0
  Si  Si17  1  0.59  0.84  0.18  1.0
  Si  Si18  1  0.34  0.06  0.54  1.0
  Si  Si19  1  0.59  0.94  0.18  1.0

data_Sc2Co3Si5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.34
_cell_length_b   7.66
_cell_length_c   7.66
_cell_angle_alpha   94.14
_cell_angle_beta   108.64
_cell_angle_gamma   108.64
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sc2Co3Si5
_chemical_formula_sum   'Sc4 Co6 Si10'
_cell_volume   275.94
_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
  Sc  Sc0  2  0.11  0.33  0.57  1.0
  Sc  Sc1  2  0.25  0.42  0.57  1.0
  Co  Co2  2  0.18  0.87  0.41  1.0
  Co  Co3  2  0.25  0.43  0.57  1.0
  Co  Co4  2  0.4  0.82  0.57  1.0
  Si  Si5  2  0.18  0.87  0.06  1.0
  Si  Si6  2  0.18  0.87  0.16  1.0
  Si  Si7  2  0.18  0.87  0.73  1.0
  Si  Si8  2  0.2  0.37  0.07  1.0
  Si  Si9  2  0.44  0.89  0.07  1.0

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