data_KLiRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   5.59
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   95.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiRe2
_chemical_formula_sum   'K1 Li1 Re2'
_cell_volume   72.61
_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
  K  K0  1  0.13  0.0  0.39  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.19  0.79  0.59  1.0
  Re  Re3  1  0.07  0.79  0.2  1.0

data_KLiRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.81
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiRe2
_chemical_formula_sum   'K1 Li1 Re2'
_cell_volume   72.61
_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
  K  K0  1  0.87  0.61  0.0  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.81  0.41  0.21  1.0
  Re  Re3  1  0.93  0.8  0.21  1.0

K Li Re Re