data_ScRe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   146.15
_cell_angle_beta   128.7
_cell_angle_gamma   62.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe2Os
_chemical_formula_sum   'Sc1 Re2 Os1'
_cell_volume   63.13
_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  1.0  1.0
  Re  Re1  1  0.0  0.0  0.53  1.0
  Re  Re2  1  0.0  0.28  0.14  1.0
  Os  Os0  1  0.54  0.0  0.33  1.0

data_ScRe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.57
_cell_length_c   5.28
_cell_angle_alpha   115.65
_cell_angle_beta   106.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe2Os
_chemical_formula_sum   'Sc1 Re2 Os1'
_cell_volume   63.13
_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  Sc0  1  0.0  1.0  1.0  1.0
  Re  Re1  1  0.0  0.53  0.53  1.0
  Re  Re2  1  0.72  0.86  0.86  1.0
  Os  Os3  1  0.0  0.33  0.8  1.0

Sc Re Re Os