data_[Ba2Li2Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1506]
_cell_length_b [3.2572]
_cell_length_c [6.9897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaLiRe2]
_chemical_formula_sum '[Ba2 Li2 Re4]'
_cell_volume [183.6084]
_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
[
  Ba  Ba0  2  0.4957  0.0000  0.5129  1
  Li  Li1  2  0.2335  0.5000  0.1592  1
  Re  Re2  2  0.2747  0.0000  0.8556  1
  Re  Re3  2  0.4960  0.5000  0.9724  1
]