data_ScCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.43
_cell_angle_alpha   101.4
_cell_angle_beta   101.4
_cell_angle_gamma   35.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo
_chemical_formula_sum   'Sc2 Co2'
_cell_volume   62.27
_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  Sc2  1  0.83  0.0  0.28  1.0
  Sc  Sc3  1  0.76  0.0  0.05  1.0
  Co  Co0  1  0.19  0.0  0.47  1.0
  Co  Co1  1  0.4  0.0  0.86  1.0

data_ScCo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.02
_cell_length_b   4.43
_cell_length_c   4.99
_cell_angle_alpha   101.4
_cell_angle_beta   107.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ScCo
_chemical_formula_sum   'Sc2 Co2'
_cell_volume   62.27
_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  0.12  0.53  1.0
  Co  Co1  2  0.0  0.31  0.89  1.0

Sc Sc Co Co