data_LiYRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYRe2
_chemical_formula_sum   'Li1 Y1 Re2'
_cell_volume   69.7
_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  0.0  0.0  0.0  1.0
  Y  Y3  1  0.67  0.0  0.0  1.0
  Re  Re1  1  0.33  0.43  0.34  1.0
  Re  Re2  1  0.33  0.57  0.34  1.0

data_LiYRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   5.33
_cell_length_c   5.55
_cell_angle_alpha   118.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYRe2
_chemical_formula_sum   'Li1 Y1 Re2'
_cell_volume   69.7
_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  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.0  0.67  1.0
  Re  Re2  1  0.34  0.43  0.77  1.0
  Re  Re3  1  0.34  0.57  0.9  1.0

Li Y Re Re