data_Na3ErCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   7.3
_cell_length_c   12.31
_cell_angle_alpha   90.0
_cell_angle_beta   123.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3ErCl6
_chemical_formula_sum   'Na6 Er2 Cl12'
_cell_volume   517.61
_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
  Na  Na0  1  0.6  0.65  0.13  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.86  0.1  0.48  1.0
  Na  Na3  1  0.65  0.75  0.65  1.0
  Na  Na4  1  0.24  0.2  0.77  1.0
  Na  Na5  1  0.46  0.55  0.61  1.0
  Er  Er6  1  0.46  0.65  0.0  1.0
  Er  Er7  1  0.05  0.0  0.13  1.0
  Cl  Cl8  1  0.53  0.12  0.43  1.0
  Cl  Cl9  1  0.88  0.09  0.32  1.0
  Cl  Cl10  1  0.57  0.18  0.83  1.0
  Cl  Cl11  1  0.98  0.47  0.7  1.0
  Cl  Cl12  1  0.89  0.3  0.46  1.0
  Cl  Cl13  1  0.13  0.83  0.56  1.0
  Cl  Cl14  1  0.62  0.95  0.67  1.0
  Cl  Cl15  1  0.22  0.21  0.93  1.0
  Cl  Cl16  1  0.49  0.35  0.59  1.0
  Cl  Cl17  1  0.21  0.0  0.79  1.0
  Cl  Cl18  1  0.48  0.86  0.45  1.0
  Cl  Cl19  1  0.62  0.44  0.8  1.0

data_Na3ErCl6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.91
_cell_length_b   7.3
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3ErCl6
_chemical_formula_sum   'Na6 Er2 Cl12'
_cell_volume   517.61
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.38  0.9  0.52  1.0
  Na  Na2  1  0.47  0.8  0.23  1.0
  Na  Na3  1  0.47  0.35  0.87  1.0
  Na  Na4  1  0.85  0.45  0.39  1.0
  Na  Na5  1  1.0  0.25  0.35  1.0
  Er  Er6  1  0.46  0.35  -0.0  1.0
  Er  Er7  1  0.92  0.0  0.87  1.0
  Cl  Cl8  1  0.03  0.14  0.55  1.0
  Cl  Cl9  1  0.1  0.88  0.57  1.0
  Cl  Cl10  1  0.28  0.53  0.3  1.0
  Cl  Cl11  1  0.29  0.79  0.07  1.0
  Cl  Cl12  1  0.42  1.0  0.21  1.0
  Cl  Cl13  1  0.43  0.7  0.54  1.0
  Cl  Cl14  1  0.56  0.91  0.68  1.0
  Cl  Cl15  1  0.57  0.17  0.44  1.0
  Cl  Cl16  1  0.75  0.82  0.17  1.0
  Cl  Cl17  1  0.82  0.56  0.2  1.0
  Cl  Cl18  1  0.9  0.65  0.41  1.0
  Cl  Cl19  1  0.95  0.05  0.33  1.0

Na Na Na Na Na Na Er Er Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl