data_[Be2Ga4Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.5103]
_cell_length_b [7.5103]
_cell_length_c [3.8835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Be(GaCu3)2]
_chemical_formula_sum '[Be2 Ga4 Cu12]'
_cell_volume [219.0454]
_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  0.0000  0.0000  1
  Ga  Ga1  4  0.2013  0.7987  0.5000  1
  Cu  Cu2  8  0.0303  0.6695  0.0000  1
  Cu  Cu3  4  0.1257  0.1257  0.5000  1
]