data_ScGaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.71
_cell_length_c   2.87
_cell_angle_alpha   81.46
_cell_angle_beta   74.26
_cell_angle_gamma   24.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGaRe
_chemical_formula_sum   'Sc1 Ga1 Re1'
_cell_volume   50.9
_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  0.69  0.32  0.26  1.0
  Ga  Ga0  1  0.69  0.32  0.12  1.0
  Re  Re1  1  0.69  0.32  0.61  1.0

data_ScGaRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.38
_cell_length_b   12.99
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   126.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScGaRe
_chemical_formula_sum   'Sc2 Ga2 Re2'
_cell_volume   101.79
_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  0.32  0.0  0.05  1.0
  Ga  Ga1  2  0.32  0.0  0.19  1.0
  Re  Re2  2  0.32  0.0  0.7  1.0

Sc Ga Re