data_LiCoRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17
_cell_length_b   9.17
_cell_length_c   9.17
_cell_angle_alpha   16.73
_cell_angle_beta   16.73
_cell_angle_gamma   16.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoRe2
_chemical_formula_sum   'Li1 Co1 Re2'
_cell_volume   55.72
_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
  Co  Co0  1  0.0  0.0  0.56  1.0
  Re  Re2  1  0.0  0.0  0.6  1.0
  Re  Re3  1  0.0  0.0  0.52  1.0

data_LiCoRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   2.67
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   99.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCoRe2
_chemical_formula_sum   'Li2 Co2 Re4'
_cell_volume   111.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.44  1.0
  Re  Re2  2  0.0  0.0  0.4  1.0
  Re  Re3  2  0.0  0.0  0.48  1.0

Li Co Re Re
Li Co Re Re 0 0 o + - 0 0 + - o 0 0 + o - 1 3 o o o 1 2 o o o 