data_[Li1Dy2Cu3Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Dy  1.2200  1.7500  1.1310
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0870]
_cell_length_b [4.0870]
_cell_length_c [10.2771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [LiDy2Cu3Ge4]
_chemical_formula_sum '[Li1 Dy2 Cu3 Ge4]'
_cell_volume [171.6623]
_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
[
  Li  Li0  1  0.5000  0.5000  0.5000  1.0
  Dy  Dy1  2  0.0000  0.5000  0.7468  1.0
  Cu  Cu2  2  0.0000  0.5000  0.1353  1.0
  Cu  Cu3  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge4  2  0.0000  0.5000  0.3648  1.0
  Ge  Ge5  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge6  1  0.5000  0.5000  0.0000  1.0
]