data_[Er8Be4Ni8]
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 [C2/c]
_cell_length_a [9.0313]
_cell_length_b [5.3538]
_cell_length_c [7.2477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er2BeNi2]
_chemical_formula_sum '[Er8 Be4 Ni8]'
_cell_volume [340.9781]
_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  8  0.1517  0.3693  0.6505  1.0
  Be  Be1  4  0.0000  0.1251  0.2500  1.0
  Ni  Ni2  8  0.1250  0.1266  0.0028  1.0
]