data_[Er8C2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8546]
_cell_length_b [3.6758]
_cell_length_c [7.7094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er4CCl5]
_chemical_formula_sum '[Er8 C2 Cl10]'
_cell_volume [464.4106]
_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
[
  Er  Er0  4  0.0010  0.0000  0.7905  1.0
  Er  Er1  4  0.1441  0.5000  0.0793  1.0
  C  C2  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.1642  0.0000  0.3385  1.0
  Cl  Cl4  4  0.1713  0.0000  0.8377  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]