data_[Er6Ga2Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.4388]
_cell_length_b [8.4388]
_cell_length_c [5.8323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Er3GaGe3]
_chemical_formula_sum '[Er6 Ga2 Ge6]'
_cell_volume [359.6943]
_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
[
  Er  Er0  6  0.0558  0.6911  0.2500  1
  Ga  Ga1  2  0.3333  0.6667  0.7500  1
  Ge  Ge2  6  0.0527  0.6951  0.7500  1
]