data_[Be2Cu8Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.7528]
_cell_length_b [5.3951]
_cell_length_c [8.9471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Be2Cu8Ge]
_chemical_formula_sum '[Be2 Cu8 Ge1]'
_cell_volume [132.8779]
_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  0.5000  0.2447  0.5000  1
  Cu  Cu1  4  0.5000  0.2665  0.1676  1
  Cu  Cu2  2  0.0000  0.0000  0.3512  1
  Cu  Cu3  2  0.0000  0.5000  0.3575  1
  Ge  Ge4  1  0.0000  0.0000  0.0000  1
]