data_[Be10Zn2Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6915]
_cell_length_b [5.5907]
_cell_length_c [11.0579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Be5ZnNi6]
_chemical_formula_sum '[Be10 Zn2 Ni12]'
_cell_volume [228.2129]
_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
[
  Be  Be0  4  0.0000  0.0000  0.3292  1
  Be  Be1  4  0.0000  0.5000  0.3354  1
  Be  Be2  2  0.0000  0.5000  0.0000  1
  Zn  Zn3  2  0.0000  0.0000  0.0000  1
  Ni  Ni4  8  0.0000  0.2617  0.1714  1
  Ni  Ni5  4  0.0000  0.2280  0.5000  1
]