data_LiCoRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoRe2
_chemical_formula_sum   'Li1 Co1 Re2'
_cell_volume   56.21
_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  0.29  1.0
  Co  Co0  1  0.48  0.0  0.46  1.0
  Re  Re2  1  0.48  0.0  0.73  1.0
  Re  Re3  1  0.0  0.0  0.45  1.0

data_LiCoRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoRe2
_chemical_formula_sum   'Li1 Co1 Re2'
_cell_volume   56.21
_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  0.29  1.0
  Co  Co1  1  0.48  0.0  0.46  1.0
  Re  Re2  1  0.0  0.0  0.45  1.0
  Re  Re3  1  0.48  0.0  0.73  1.0

Li Co Re Re