data_[Li2Re4Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0380]
_cell_length_b [2.9759]
_cell_length_c [4.2212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiRe2Si]
_chemical_formula_sum '[Li2 Re4 Si2]'
_cell_volume [106.0912]
_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  0.2421  0.0000  0.7443  1
  Re  Re1  2  0.0018  0.0000  0.9964  1
  Re  Re2  2  0.2580  0.5000  0.2615  1
  Si  Si3  2  0.4980  0.0000  0.4978  1
]