data_[Zr4Zn2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4878]
_cell_length_b [3.8397]
_cell_length_c [7.7958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr2ZnGe]
_chemical_formula_sum '[Zr4 Zn2 Ge2]'
_cell_volume [154.0932]
_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
[
  Zr  Zr0  2  0.2219  0.2500  0.4296  1.0
  Zr  Zr1  2  0.2890  0.7500  0.0751  1.0
  Zn  Zn2  2  0.1241  0.2500  0.7912  1.0
  Ge  Ge3  2  0.3660  0.7500  0.7088  1.0
]