data_[Er4Ga8Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.9257]
_cell_length_b [7.7128]
_cell_length_c [10.6172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ErGa2Br5]
_chemical_formula_sum '[Er4 Ga8 Br20]'
_cell_volume [1174.6483]
_cell_formula_units_Z [4]
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  0.5000  0.0000  1
  Ga  Ga1  8  0.1210  0.0283  0.2265  1
  Br  Br2  8  0.0761  0.1912  0.4645  1
  Br  Br3  8  0.1745  0.3554  0.1495  1
  Br  Br4  4  0.0000  0.3595  0.7500  1
]