data_ScCo2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   135.36
_cell_angle_beta   135.36
_cell_angle_gamma   64.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo2Re
_chemical_formula_sum   'Sc1 Co2 Re1'
_cell_volume   54.7
_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  0.83  0.0  0.04  1.0
  Co  Co1  1  0.0  0.0  0.07  1.0
  Re  Re2  1  0.0  0.83  0.04  1.0

data_ScCo2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   4.83
_cell_angle_alpha   112.32
_cell_angle_beta   112.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo2Re
_chemical_formula_sum   'Sc1 Co2 Re1'
_cell_volume   54.7
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.04  0.2  0.2  1.0
  Co  Co2  1  0.07  0.07  0.07  1.0
  Re  Re3  1  0.2  0.04  0.2  1.0

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