data_[Be3Zn2Cu8]
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/m]
_cell_length_a [8.1907]
_cell_length_b [2.5257]
_cell_length_c [8.3921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Be3(ZnCu4)2]
_chemical_formula_sum '[Be3 Zn2 Cu8]'
_cell_volume [152.7143]
_cell_formula_units_Z [1]
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  0.0700  0.0000  0.7816  1
  Be  Be1  1  0.0000  0.5000  0.0000  1
  Zn  Zn2  2  0.4674  0.5000  0.6368  1
  Cu  Cu3  2  0.1643  0.0000  0.5511  1
  Cu  Cu4  2  0.1983  0.5000  0.3040  1
  Cu  Cu5  2  0.2845  0.0000  0.0860  1
  Cu  Cu6  2  0.3447  0.5000  0.8573  1
]