data_[Er8B2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  B  2.0400  0.8500  0.4100
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0924]
_cell_length_b [3.7777]
_cell_length_c [7.7864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er4BCl5]
_chemical_formula_sum '[Er8 B2 Cl10]'
_cell_volume [489.3365]
_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  0.0007  0.0000  0.7844  1.0
  Er  Er1  4  0.1465  0.5000  0.0810  1.0
  B  B2  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.1654  0.0000  0.3338  1.0
  Cl  Cl4  4  0.1724  0.0000  0.8434  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]