data_[Li1Y1Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.1785]
_cell_length_b [4.8029]
_cell_length_c [4.6428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiYRe2]
_chemical_formula_sum '[Li1 Y1 Re2]'
_cell_volume [70.0241]
_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
[
  Li  Li0  1  0.5000  0.5000  0.0000  1
  Y  Y1  1  0.0000  0.5000  0.5000  1
  Re  Re2  2  0.3249  0.0000  0.2241  1
]