data_ScReAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32
_cell_length_b   7.16
_cell_length_c   2.81
_cell_angle_alpha   82.07
_cell_angle_beta   75.63
_cell_angle_gamma   22.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScReAg
_chemical_formula_sum   'Sc1 Re1 Ag1'
_cell_volume   52.35
_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  Sc2  1  0.67  0.26  0.39  1.0
  Re  Re1  1  0.67  0.26  0.57  1.0
  Ag  Ag0  1  0.67  0.26  0.89  1.0

data_ScReAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.33
_cell_length_b   13.93
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   126.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScReAg
_chemical_formula_sum   'Sc2 Re2 Ag2'
_cell_volume   104.71
_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  0.26  0.0  0.94  1.0
  Re  Re1  2  0.26  0.0  0.77  1.0
  Ag  Ag2  2  0.26  0.0  0.44  1.0

Sc Re Ag
Sc Re Ag 0 1 o o o 1 2 o o o 