data_LiCrRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.81
_cell_angle_alpha   98.5
_cell_angle_beta   98.5
_cell_angle_gamma   34.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrRe2
_chemical_formula_sum   'Li1 Cr1 Re2'
_cell_volume   54.64
_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
  Cr  Cr0  1  0.96  0.0  0.37  1.0
  Re  Re2  1  0.38  0.0  0.19  1.0
  Re  Re3  1  0.54  0.0  0.56  1.0

data_LiCrRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.53
_cell_length_c   4.81
_cell_angle_alpha   98.5
_cell_angle_beta   90.0
_cell_angle_gamma   107.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrRe2
_chemical_formula_sum   'Li1 Cr1 Re2'
_cell_volume   54.64
_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
  Cr  Cr1  1  0.0  0.04  0.63  1.0
  Re  Re2  1  0.0  0.46  0.44  1.0
  Re  Re3  1  0.0  0.62  0.81  1.0

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