data_[Er2Be4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Be  1.5700  1.0500  0.5900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0452]
_cell_length_b [4.0452]
_cell_length_c [9.4210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Er(BeGe)2]
_chemical_formula_sum '[Er2 Be4 Ge4]'
_cell_volume [154.1587]
_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
[
  Er  Er0  2  0.0000  0.5000  0.2479  1
  Be  Be1  2  0.0000  0.0000  0.5000  1
  Be  Be2  2  0.0000  0.5000  0.8711  1
  Ge  Ge3  2  0.0000  0.0000  0.0000  1
  Ge  Ge4  2  0.0000  0.5000  0.6326  1
]