data_[Er2Cu1Ge4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9925]
_cell_length_b [7.2344]
_cell_length_c [7.9585]
_cell_angle_alpha [66.4443]
_cell_angle_beta [87.0015]
_cell_angle_gamma [76.9108]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er2Cu(GeO3)4]
_chemical_formula_sum '[Er2 Cu1 Ge4 O12]'
_cell_volume [256.4129]
_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
[
  Er  Er0  2  0.0456  0.7697  0.4511  1.0
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4173  0.3834  0.7946  1.0
  Ge  Ge3  2  0.4604  0.1667  0.2262  1.0
  O  O4  2  0.2050  0.4253  0.6094  1.0
  O  O5  2  0.2238  0.0666  0.3899  1.0
  O  O6  2  0.2477  0.0094  0.7956  1.0
  O  O7  2  0.2573  0.7768  0.1953  1.0
  O  O8  2  0.2683  0.3115  0.0123  1.0
  O  O9  2  0.4139  0.6587  0.7047  1.0
]