data_LiRe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   2.73
_cell_angle_alpha   104.56
_cell_angle_beta   104.56
_cell_angle_gamma   118.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2As
_chemical_formula_sum   'Li1 Re2 As1'
_cell_volume   59.34
_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  0.0  0.0  0.0  1.0
  Re  Re2  1  0.36  0.28  0.0  1.0
  Re  Re3  1  0.36  0.72  0.0  1.0
  As  As0  1  0.73  0.0  0.0  1.0

data_LiRe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.76
_cell_length_c   5.32
_cell_angle_alpha   116.37
_cell_angle_beta   104.56
_cell_angle_gamma   90.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2As
_chemical_formula_sum   'Li1 Re2 As1'
_cell_volume   59.34
_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
  Re  Re1  1  0.28  0.28  0.65  1.0
  Re  Re2  1  0.72  0.72  0.08  1.0
  As  As3  1  0.0  0.0  0.73  1.0

Li Re Re As