data_ScCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32
_cell_length_b   8.32
_cell_length_c   8.32
_cell_angle_alpha   18.94
_cell_angle_beta   18.94
_cell_angle_gamma   18.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo3
_chemical_formula_sum   'Sc1 Co3'
_cell_volume   53.13
_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  0.0  1.0
  Co  Co0  1  0.0  0.0  0.56  1.0
  Co  Co1  1  0.0  0.0  0.26  1.0
  Co  Co2  1  0.0  0.0  0.96  1.0

data_ScCo3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   2.74
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   100.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCo3
_chemical_formula_sum   'Sc2 Co6'
_cell_volume   106.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.04  1.0
  Co  Co2  2  0.0  0.0  0.44  1.0
  Co  Co3  2  0.0  0.0  0.74  1.0

Sc Co Co Co