data_Li2CoRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   2.62
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CoRe
_chemical_formula_sum   'Li2 Co1 Re1'
_cell_volume   57.68
_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  0.49  0.0  0.26  1.0
  Li  Li2  1  0.0  0.0  0.61  1.0
  Co  Co0  1  0.0  0.0  0.34  1.0
  Re  Re3  1  0.49  0.0  0.28  1.0

data_Li2CoRe
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.62
_cell_length_b   8.99
_cell_length_c   2.62
_cell_angle_alpha   90.0
_cell_angle_beta   110.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Li2CoRe
_chemical_formula_sum   'Li2 Co1 Re1'
_cell_volume   57.68
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.39  0.0  1.0
  Li  Li1  1  0.5  0.74  0.0  1.0
  Co  Co2  1  0.0  0.66  0.0  1.0
  Re  Re3  1  0.5  0.72  0.0  1.0

Li Li Co Re