data_[Zr1Nb1Ag2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8357]
_cell_length_b [3.8357]
_cell_length_c [9.6375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [ZrNb(AgGe2)2]
_chemical_formula_sum '[Zr1 Nb1 Ag2 Ge4]'
_cell_volume [141.7903]
_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
[
  Zr  Zr0  1  0.5000  0.5000  0.7201  1
  Nb  Nb1  1  0.0000  0.0000  0.2823  1
  Ag  Ag2  2  0.0000  0.5000  0.0033  1
  Ge  Ge3  2  0.0000  0.5000  0.4933  1
  Ge  Ge4  1  0.0000  0.0000  0.7953  1
  Ge  Ge5  1  0.5000  0.5000  0.2092  1
]