data_[Er21Co3Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.6370]
_cell_length_b [14.6370]
_cell_length_c [10.3267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Er7CoBr12]
_chemical_formula_sum '[Er21 Co3 Br36]'
_cell_volume [1916.0140]
_cell_formula_units_Z [3]
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  18  0.0414  0.8812  0.8617  1
  Er  Er1  3  0.0000  0.0000  0.5000  1
  Co  Co2  3  0.0000  0.0000  0.0000  1
  Br  Br3  18  0.0197  0.4346  0.6541  1
  Br  Br4  18  0.0466  0.8758  0.3386  1
]