data_Li2YRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   2.83
_cell_angle_alpha   100.37
_cell_angle_beta   100.37
_cell_angle_gamma   123.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YRe
_chemical_formula_sum   'Li2 Y1 Re1'
_cell_volume   75.29
_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  0.85  0.58  0.31  1.0
  Li  Li1  1  0.85  0.42  0.31  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.78  0.0  0.0  1.0

data_Li2YRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.2
_cell_length_c   5.87
_cell_angle_alpha   114.17
_cell_angle_beta   100.37
_cell_angle_gamma   97.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YRe
_chemical_formula_sum   'Li2 Y1 Re1'
_cell_volume   75.29
_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  0.72  0.42  0.27  1.0
  Li  Li1  1  0.89  0.58  0.44  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.78  1.0

Li Li Y Re
Li Li Y Re 0 1 o o o 2 3 - o o 