data_[Be2Zn6Cu12]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4714]
_cell_length_b [2.5717]
_cell_length_c [10.6591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7147]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Be(ZnCu2)3]
_chemical_formula_sum '[Be2 Zn6 Cu12]'
_cell_volume [245.9013]
_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  2  0.4260  0.7500  0.3122  1.0
  Zn  Zn1  2  0.0249  0.7500  0.8973  1.0
  Zn  Zn2  2  0.1287  0.7500  0.4988  1.0
  Zn  Zn3  2  0.4873  0.7500  0.1096  1.0
  Cu  Cu4  2  0.1051  0.2500  0.7059  1.0
  Cu  Cu5  2  0.1774  0.7500  0.2844  1.0
  Cu  Cu6  2  0.2497  0.2500  0.1053  1.0
  Cu  Cu7  2  0.2817  0.7500  0.8978  1.0
  Cu  Cu8  2  0.3606  0.7500  0.6881  1.0
  Cu  Cu9  2  0.3730  0.2500  0.4790  1.0
]