data_ScInCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   42.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInCo2
_chemical_formula_sum   'Sc1 In1 Co2'
_cell_volume   66.03
_cell_formula_units_Z   1
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  Sc3  1  0.0  0.0  0.13  1.0
  In  In2  1  0.91  0.0  0.95  1.0
  Co  Co0  1  0.91  0.0  0.61  1.0
  Co  Co1  1  0.0  0.0  0.78  1.0

data_ScInCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.82
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   111.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInCo2
_chemical_formula_sum   'Sc1 In1 Co2'
_cell_volume   66.03
_cell_formula_units_Z   1
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  0.87  0.0  0.87  1.0
  In  In1  1  0.05  0.91  0.05  1.0
  Co  Co2  1  0.22  0.0  0.22  1.0
  Co  Co3  1  0.39  0.91  0.39  1.0

Sc In Co Co
Sc In Co Co 0 1 - o - 1 3 + o o 2 3 + o o 