data_ScGaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   144.99
_cell_angle_beta   130.01
_cell_angle_gamma   62.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGaRe2
_chemical_formula_sum   'Sc1 Ga1 Re2'
_cell_volume   64.26
_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
  Ga  Ga0  1  0.0  0.0  0.52  1.0
  Re  Re1  1  0.59  0.0  0.26  1.0
  Re  Re2  1  0.0  0.23  0.26  1.0

data_ScGaRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.47
_cell_length_c   5.29
_cell_angle_alpha   114.99
_cell_angle_beta   107.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGaRe2
_chemical_formula_sum   'Sc1 Ga1 Re2'
_cell_volume   64.26
_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
  Ga  Ga1  1  0.48  0.48  0.48  1.0
  Re  Re2  1  0.33  0.74  0.33  1.0
  Re  Re3  1  0.74  0.97  0.97  1.0

Sc Ga Re Re