data_[Sc4Re2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Re  1.9000  1.3500  0.7125
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.3940]
_cell_length_b [4.6914]
_cell_length_c [10.0765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Sc2ReSb]
_chemical_formula_sum '[Sc4 Re2 Sb2]'
_cell_volume [160.4431]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.7803  1
  Sc  Sc1  2  0.0000  0.5000  0.0013  1
  Re  Re2  2  0.0000  0.5000  0.5008  1
  Sb  Sb3  2  0.0000  0.0000  0.2176  1
]