data_ScCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo5
_chemical_formula_sum   'Sc1 Co5'
_cell_volume   77.95
_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  Sc5  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.19  0.06  0.99  1.0
  Co  Co1  1  0.38  0.37  0.0  1.0
  Co  Co2  1  0.81  0.06  0.99  1.0
  Co  Co3  1  0.38  0.0  0.99  1.0
  Co  Co4  1  0.0  0.75  0.0  1.0

data_ScCo5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.76
_cell_length_b   3.98
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScCo5
_chemical_formula_sum   'Sc1 Co5'
_cell_volume   77.95
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.75  1.0
  Co  Co2  1  0.19  0.0  0.06  1.0
  Co  Co3  1  0.38  0.0  0.0  1.0
  Co  Co4  1  0.38  0.0  0.37  1.0
  Co  Co5  1  0.81  0.0  0.06  1.0

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