data_[Er4Be12Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.6645]
_cell_length_b [6.8263]
_cell_length_c [4.8973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ErBe3Ni2]
_chemical_formula_sum '[Er4 Be12 Ni8]'
_cell_volume [289.6626]
_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  0.0000  0.3275  0.2500  1.0
  Be  Be1  8  0.1844  0.2784  0.7500  1.0
  Be  Be2  4  0.0000  0.0728  0.7500  1.0
  Ni  Ni3  8  0.2043  0.0000  0.0000  1.0
]