data_[Er8H8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5394]
_cell_length_b [3.5708]
_cell_length_c [6.9210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErHCl]
_chemical_formula_sum '[Er8 H8 Cl8]'
_cell_volume [476.8740]
_cell_formula_units_Z [8]
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
[
  Er  Er0  4  0.1774  0.5000  0.6044  1
  Er  Er1  4  0.1870  0.5000  0.0893  1
  H  H2  4  0.2491  0.0000  0.1367  1
  H  H3  4  0.2492  0.0000  0.6201  1
  Cl  Cl4  4  0.0759  0.5000  0.8049  1
  Cl  Cl5  4  0.1108  0.0000  0.3128  1
]