data_LiReAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   123.45
_cell_angle_beta   123.45
_cell_angle_gamma   84.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReAg2
_chemical_formula_sum   'Li1 Re1 Ag2'
_cell_volume   65.44
_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  Li2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.43  1.0
  Ag  Ag0  1  0.0  0.19  0.71  1.0
  Ag  Ag1  1  0.19  0.0  0.71  1.0

data_LiReAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   132.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiReAg2
_chemical_formula_sum   'Li2 Re2 Ag4'
_cell_volume   130.88
_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
  Re  Re1  2  0.0  0.0  0.43  1.0
  Ag  Ag2  4  0.41  0.41  0.53  1.0

Li Re Ag Ag
Li Re Ag Ag 0 2 o o - 0 3 o o - 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 