data_[Er4Cu12Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9870]
_cell_length_b [3.9889]
_cell_length_c [7.2079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErCu3Ge2]
_chemical_formula_sum '[Er4 Cu12 Ge8]'
_cell_volume [386.8323]
_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  4  0.1464  0.0000  0.0667  1.0
  Cu  Cu1  4  0.0418  0.0000  0.3836  1.0
  Cu  Cu2  4  0.0968  0.5000  0.6772  1.0
  Cu  Cu3  4  0.1895  0.5000  0.4594  1.0
  Ge  Ge4  4  0.0211  0.5000  0.1825  1.0
  Ge  Ge5  4  0.1992  0.0000  0.7082  1.0
]