data_Li3Er
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Er
_chemical_formula_sum   'Li6 Er2'
_cell_volume   183.41
_cell_formula_units_Z   2
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  0.48  0.85  0.26  1.0
  Li  Li1  1  1.0  0.85  0.26  1.0
  Li  Li2  1  0.24  0.9  0.26  1.0
  Li  Li3  1  0.76  0.76  0.79  1.0
  Li  Li4  1  0.24  0.76  0.79  1.0
  Li  Li5  1  0.0  0.71  0.79  1.0
  Er  Er6  1  0.24  0.87  0.79  1.0
  Er  Er7  1  0.0  0.74  0.26  1.0

data_Li3Er
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.05
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li3Er
_chemical_formula_sum   'Li6 Er2'
_cell_volume   183.41
_cell_formula_units_Z   2
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  2  0.24  0.12  0.6  1.0
  Li  Li1  2  0.24  0.36  0.55  1.0
  Li  Li2  2  0.24  0.88  0.55  1.0
  Er  Er3  2  0.24  0.88  0.43  1.0

Li Li Li Li Li Li Er Er