data_Sc(CoSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   8.19
_cell_angle_alpha   110.35
_cell_angle_beta   110.35
_cell_angle_gamma   45.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(CoSi)2
_chemical_formula_sum   'Sc2 Co4 Si4'
_cell_volume   132.55
_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  Sc4  1  0.24  0.0  0.93  1.0
  Sc  Sc5  1  0.81  0.0  0.66  1.0
  Co  Co0  1  0.4  0.0  0.06  1.0
  Co  Co1  1  0.65  0.0  0.53  1.0
  Co  Co2  1  0.64  0.0  0.01  1.0
  Co  Co3  1  0.41  0.0  0.58  1.0
  Si  Si6  1  0.9  0.0  0.07  1.0
  Si  Si7  1  0.15  0.0  0.52  1.0
  Si  Si8  1  0.34  0.0  0.87  1.0
  Si  Si9  1  0.71  0.0  0.72  1.0

data_Sc(CoSi)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.82
_cell_length_b   4.95
_cell_length_c   7.97
_cell_angle_alpha   74.7
_cell_angle_beta   76.12
_cell_angle_gamma   67.3
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sc(CoSi)2
_chemical_formula_sum   'Sc2 Co4 Si4'
_cell_volume   132.55
_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  0.0  0.08  0.64  1.0
  Co  Co1  2  0.0  0.11  0.76  1.0
  Co  Co2  2  0.0  0.4  0.71  1.0
  Si  Si3  2  0.0  0.24  0.57  1.0
  Si  Si4  2  0.0  0.4  0.22  1.0

Sc Sc Co Co Co Co Si Si Si Si
Sc Sc Co Co Co Co Si Si Si Si 0 8 o o o 0 2 o o + 1 9 o o o 1 3 o o o 2 4 o o o 3 5 o o o 4 8 o o - 4 6 o o o 5 7 o o o 5 9 o o o 