data_[Er4Ge2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8325]
_cell_length_b [4.2027]
_cell_length_c [10.7638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Er2GeRu]
_chemical_formula_sum '[Er4 Ge2 Ru2]'
_cell_volume [173.3675]
_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  2  0.0000  0.0000  0.9773  1
  Er  Er1  2  0.5000  0.0000  0.2598  1
  Ge  Ge2  2  0.5000  0.0000  0.5530  1
  Ru  Ru3  2  0.0000  0.0000  0.7091  1
]