data_[Be4Ga4Ge4]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.2526]
_cell_length_b [3.9462]
_cell_length_c [6.8484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeGaGe]
_chemical_formula_sum '[Be4 Ga4 Ge4]'
_cell_volume [195.0669]
_cell_formula_units_Z [4]
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  0.0215  0.0000  0.8928  1
  Be  Be1  2  0.3659  0.5000  0.5896  1
  Ga  Ga2  2  0.2744  0.0000  0.4045  1
  Ga  Ga3  2  0.4551  0.5000  0.2379  1
  Ge  Ge4  2  0.0585  0.5000  0.6905  1
  Ge  Ge5  2  0.3349  0.0000  0.0032  1
]