data_[Li2Sc2Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.3659]
_cell_length_b [4.4943]
_cell_length_c [6.2690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [LiScRe2]
_chemical_formula_sum '[Li2 Sc2 Re4]'
_cell_volume [123.0094]
_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
[
  Li  Li0  2  0.0000  0.5000  0.2523  1
  Sc  Sc1  2  0.0000  0.0000  0.5003  1
  Re  Re2  2  0.0000  0.0000  0.0049  1
  Re  Re3  2  0.0000  0.5000  0.7424  1
]