data_[Er4C4Br4]
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 [C2/m]
_cell_length_a [6.9726]
_cell_length_b [3.7445]
_cell_length_c [10.9633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErCBr]
_chemical_formula_sum '[Er4 C4 Br4]'
_cell_volume [285.1987]
_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  0.1411  0.0000  0.1306  1.0
  C  C1  4  0.0718  0.5000  0.9659  1.0
  Br  Br2  4  0.1742  0.0000  0.6976  1.0
]