data_[Be1Ga3Cu12]
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/mmm]
_cell_length_a [3.6484]
_cell_length_b [3.6484]
_cell_length_c [14.7181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Be(GaCu4)3]
_chemical_formula_sum '[Be1 Ga3 Cu12]'
_cell_volume [195.9110]
_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  1  0.0000  0.0000  0.0000  1
  Ga  Ga1  2  0.0000  0.0000  0.2430  1
  Ga  Ga2  1  0.0000  0.0000  0.5000  1
  Cu  Cu3  4  0.0000  0.5000  0.1153  1
  Cu  Cu4  4  0.0000  0.5000  0.3716  1
  Cu  Cu5  2  0.5000  0.5000  0.2441  1
  Cu  Cu6  1  0.5000  0.5000  0.0000  1
  Cu  Cu7  1  0.5000  0.5000  0.5000  1
]