data_[Er24Ge44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [87.2704]
_cell_length_b [4.1083]
_cell_length_c [4.0386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Er6Ge11]
_chemical_formula_sum '[Er24 Ge44]'
_cell_volume [1447.9482]
_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
[
  Er  Er0  2  0.0204  0.0000  0.7779  1
  Er  Er1  2  0.0582  0.0000  0.2413  1
  Er  Er2  2  0.1093  0.5000  0.7383  1
  Er  Er3  2  0.1465  0.5000  0.2552  1
  Er  Er4  2  0.1879  0.5000  0.7376  1
  Er  Er5  2  0.2240  0.5000  0.2433  1
  Er  Er6  2  0.2761  0.0000  0.7377  1
  Er  Er7  2  0.3132  0.0000  0.2550  1
  Er  Er8  2  0.3546  0.0000  0.7383  1
  Er  Er9  2  0.3906  0.0000  0.2442  1
  Er  Er10  2  0.4419  0.5000  0.7421  1
  Er  Er11  2  0.4797  0.5000  0.2779  1
  Ge  Ge12  2  0.0071  0.5000  0.3043  1
  Ge  Ge13  2  0.0345  0.5000  0.2478  1
  Ge  Ge14  2  0.0539  0.5000  0.7411  1
  Ge  Ge15  2  0.0835  0.0000  0.7447  1
  Ge  Ge16  2  0.0835  0.5000  0.2436  1
  Ge  Ge17  2  0.1165  0.0000  0.2389  1
  Ge  Ge18  2  0.1355  0.0000  0.7485  1
  Ge  Ge19  2  0.1640  0.0000  0.8643  1
  Ge  Ge20  2  0.1967  0.0000  0.2395  1
  Ge  Ge21  2  0.2168  0.0000  0.7434  1
  Ge  Ge22  2  0.2500  0.0000  0.2360  1
  Ge  Ge23  2  0.2501  0.5000  0.7501  1
  Ge  Ge24  2  0.2827  0.5000  0.2375  1
  Ge  Ge25  2  0.3020  0.5000  0.7455  1
  Ge  Ge26  2  0.3306  0.5000  0.8656  1
  Ge  Ge27  2  0.3631  0.5000  0.2407  1
  Ge  Ge28  2  0.3829  0.5000  0.7449  1
  Ge  Ge29  2  0.4165  0.0000  0.7500  1
  Ge  Ge30  2  0.4165  0.5000  0.2418  1
  Ge  Ge31  2  0.4459  0.0000  0.2409  1
  Ge  Ge32  2  0.4655  0.0000  0.7491  1
  Ge  Ge33  2  0.4929  0.0000  0.8028  1
]