data_[Er16Be16Cu16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [4.0630]
_cell_length_b [13.6701]
_cell_length_c [15.8867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [ErBeCu]
_chemical_formula_sum '[Er16 Be16 Cu16]'
_cell_volume [882.3628]
_cell_formula_units_Z [16]
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  16  0.0000  0.1276  0.0000  1
  Be  Be1  16  0.0000  0.0000  0.1332  1
  Cu  Cu2  16  0.0000  0.0000  0.4117  1
]