data_Sc3Co2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   53.49
_cell_angle_beta   53.49
_cell_angle_gamma   53.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Co2
_chemical_formula_sum   'Sc6 Co4'
_cell_volume   185.61
_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  0.06  0.84  0.11  1.0
  Sc  Sc5  1  0.11  0.4  0.11  1.0
  Sc  Sc6  1  0.83  0.76  0.11  1.0
  Sc  Sc7  1  0.17  0.24  0.22  1.0
  Sc  Sc8  1  0.89  0.6  0.22  1.0
  Sc  Sc9  1  0.94  0.16  0.22  1.0
  Co  Co0  1  0.0  0.0  0.26  1.0
  Co  Co1  1  0.0  0.0  0.75  1.0
  Co  Co2  1  0.0  0.0  0.59  1.0
  Co  Co3  1  0.0  0.0  0.08  1.0

data_Sc3Co2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.77
_cell_angle_alpha   63.25
_cell_angle_beta   63.25
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sc3Co2
_chemical_formula_sum   'Sc6 Co4'
_cell_volume   185.61
_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  0.16  0.56  0.85  1.0
  Sc  Sc1  2  0.24  0.56  0.53  1.0
  Sc  Sc2  2  0.4  0.44  0.55  1.0
  Co  Co3  2  0.0  0.08  0.42  1.0
  Co  Co4  2  0.0  0.41  0.09  1.0

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