data_[Er4Cu6Ge4]
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 [Cmmm]
_cell_length_a [3.7207]
_cell_length_b [18.0052]
_cell_length_c [3.9503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er2Cu3Ge2]
_chemical_formula_sum '[Er4 Cu6 Ge4]'
_cell_volume [264.6417]
_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  4  0.0000  0.1575  0.0000  1
  Cu  Cu1  4  0.0000  0.4354  0.5000  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Ge  Ge3  4  0.0000  0.2968  0.5000  1
]