data_[Be4Co5Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.6807]
_cell_length_b [2.6807]
_cell_length_c [13.1131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Be4Co5Ge]
_chemical_formula_sum '[Be4 Co5 Ge1]'
_cell_volume [94.2360]
_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  0.0000  0.0000  0.2171  1
  Be  Be1  2  0.0000  0.0000  0.4029  1
  Co  Co2  2  0.5000  0.5000  0.1119  1
  Co  Co3  2  0.5000  0.5000  0.3085  1
  Co  Co4  1  0.5000  0.5000  0.5000  1
  Ge  Ge5  1  0.0000  0.0000  0.0000  1
]