data_[Ca4Tb4Er4Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6009]
_cell_length_b [7.6009]
_cell_length_c [7.6009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [CaTbErAl]
_chemical_formula_sum '[Ca4 Tb4 Er4 Al4]'
_cell_volume [439.1359]
_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
[
  Ca  Ca0  4  0.2500  0.2500  0.2500  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Er  Er2  4  0.0000  0.0000  0.5000  1
  Al  Al3  4  0.2500  0.2500  0.7500  1
]