data_[Zr4Ga2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4606]
_cell_length_b [3.8699]
_cell_length_c [7.7485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr2GaGe]
_chemical_formula_sum '[Zr4 Ga2 Ge2]'
_cell_volume [153.6429]
_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  0.2163  0.7500  0.4309  1
  Zr  Zr1  2  0.2934  0.2500  0.0732  1
  Ga  Ga2  2  0.1171  0.7500  0.7938  1
  Ge  Ge3  2  0.3728  0.2500  0.7070  1
]