data_Sc2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   106.38
_cell_angle_beta   106.38
_cell_angle_gamma   115.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Co
_chemical_formula_sum   'Sc4 Co2'
_cell_volume   110.78
_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  Sc0  1  0.25  0.1  0.0  1.0
  Sc  Sc1  1  0.9  0.05  0.79  1.0
  Sc  Sc2  1  0.05  0.1  0.79  1.0
  Sc  Sc3  1  0.1  0.05  0.0  1.0
  Co  Co4  1  0.0  0.0  0.19  1.0
  Co  Co5  1  0.0  0.0  0.4  1.0

data_Sc2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   106.38
_cell_angle_beta   106.38
_cell_angle_gamma   115.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Co
_chemical_formula_sum   'Sc4 Co2'
_cell_volume   110.78
_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  Sc0  1  0.05  0.1  0.79  1.0
  Sc  Sc1  1  0.1  0.05  0.0  1.0
  Sc  Sc2  1  0.25  0.1  0.0  1.0
  Sc  Sc3  1  0.9  0.05  0.79  1.0
  Co  Co4  1  0.0  0.0  0.19  1.0
  Co  Co5  1  0.0  0.0  0.4  1.0

Sc Sc Sc Sc Co Co
Sc Sc Sc Sc Co Co 0 3 o o o 1 2 + o o 3 4 o o o 4 5 o o o 