data_[Er4Be8Ni8]
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 [I4/mmm]
_cell_length_a [3.7741]
_cell_length_b [3.7741]
_cell_length_c [18.3147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Er(BeNi)2]
_chemical_formula_sum '[Er4 Be8 Ni8]'
_cell_volume [260.8663]
_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  0.0000  0.3753  1.0
  Be  Be1  4  0.0000  0.0000  0.0635  1.0
  Be  Be2  4  0.0000  0.5000  0.2500  1.0
  Ni  Ni3  4  0.0000  0.0000  0.1878  1.0
  Ni  Ni4  4  0.0000  0.5000  0.0000  1.0
]