data_[Be2Zn4Cu10]
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 [Pbam]
_cell_length_a [5.0678]
_cell_length_b [10.1320]
_cell_length_c [3.7426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [BeZn2Cu5]
_chemical_formula_sum '[Be2 Zn4 Cu10]'
_cell_volume [192.1740]
_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  0.0000  0.5000  0.0000  1
  Zn  Zn1  4  0.2107  0.8683  0.5000  1
  Cu  Cu2  4  0.0415  0.2565  0.0000  1
  Cu  Cu3  4  0.2064  0.6123  0.5000  1
  Cu  Cu4  2  0.0000  0.0000  0.0000  1
]