data_[Sr4Be3Ge5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Be  1.5700  1.0500  0.5900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1785]
_cell_length_b [4.1785]
_cell_length_c [18.4516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Sr4Be3Ge5]
_chemical_formula_sum '[Sr4 Be3 Ge5]'
_cell_volume [279.0016]
_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
[
  Sr  Sr0  2  0.3333  0.6667  0.3692  1.0
  Sr  Sr1  2  0.3333  0.6667  0.8751  1.0
  Be  Be2  2  0.0000  0.0000  0.2508  1.0
  Be  Be3  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge4  2  0.6667  0.3333  0.7500  1.0
  Ge  Ge5  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge6  1  0.6667  0.3333  0.0000  1.0
  Ge  Ge7  1  0.6667  0.3333  0.5000  1.0
]