data_[Cs6Er2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0752]
_cell_length_b [8.4660]
_cell_length_c [14.0474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs3ErCl6]
_chemical_formula_sum '[Cs6 Er2 Cl12]'
_cell_volume [787.9504]
_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
[
  Cs  Cs0  4  0.2751  0.5617  0.2533  1.0
  Cs  Cs1  2  0.5000  0.0000  0.5000  1.0
  Er  Er2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1092  0.5435  0.7142  1.0
  Cl  Cl4  4  0.2278  0.2438  0.5644  1.0
  Cl  Cl5  4  0.3082  0.6733  0.5460  1.0
]