data_Li2ReAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   4.38
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ReAs
_chemical_formula_sum   'Li2 Re1 As1'
_cell_volume   58.93
_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  Li1  1  0.33  0.19  0.32  1.0
  Li  Li2  1  0.33  0.19  0.72  1.0
  Re  Re3  1  0.0  0.0  0.52  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Li2ReAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.38
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ReAs
_chemical_formula_sum   'Li2 Re1 As1'
_cell_volume   58.93
_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  0.33  0.19  0.32  1.0
  Li  Li1  1  0.33  0.19  0.72  1.0
  Re  Re2  1  0.0  0.0  0.52  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Li Li Re As
Li Li Re As 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o + 