data_[Gd2Er2Be2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Er  1.2400  1.7500  1.0300
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4572]
_cell_length_b [3.4572]
_cell_length_c [11.9967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [GdErBe]
_chemical_formula_sum '[Gd2 Er2 Be2]'
_cell_volume [143.3894]
_cell_formula_units_Z [2]
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
[
  Gd  Gd0  2  0.0000  0.0000  0.0291  1
  Er  Er1  2  0.0000  0.0000  0.3004  1
  Be  Be2  2  0.0000  0.0000  0.6704  1
]