data_[Er8C4Br10]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7411]
_cell_length_b [7.8749]
_cell_length_c [19.0090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er4C2Br5]
_chemical_formula_sum '[Er8 C4 Br10]'
_cell_volume [560.0299]
_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  0.0000  0.1964  0.5000  1.0
  Er  Er1  4  0.0000  0.5000  0.1484  1.0
  C  C2  4  0.0000  0.5000  0.0374  1.0
  Br  Br3  8  0.0000  0.2683  0.3407  1.0
  Br  Br4  2  0.0000  0.0000  0.0000  1.0
]