data_Sc2VRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   2.82
_cell_angle_alpha   99.18
_cell_angle_beta   99.18
_cell_angle_gamma   117.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2VRe
_chemical_formula_sum   'Sc2 V1 Re1'
_cell_volume   69.32
_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  Sc1  1  0.97  0.7  0.34  1.0
  Sc  Sc2  1  0.97  0.3  0.34  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.81  0.0  0.0  1.0

data_Sc2VRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   117.23
_cell_angle_beta   99.18
_cell_angle_gamma   99.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2VRe
_chemical_formula_sum   'Sc2 V1 Re1'
_cell_volume   69.32
_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  0.34  0.97  0.3  1.0
  Sc  Sc1  1  0.34  0.97  0.7  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.81  0.0  1.0

Sc Sc V Re