data_[Er2Ge4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3920]
_cell_length_b [5.2522]
_cell_length_c [5.8851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErGe2F8]
_chemical_formula_sum '[Er2 Ge4 F16]'
_cell_volume [320.5090]
_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  0.0000  1
  Ge  Ge1  4  0.2393  0.0000  0.6327  1
  F  F2  8  0.1440  0.2294  0.8034  1
  F  F3  4  0.1026  0.0000  0.3251  1
  F  F4  4  0.1118  0.5000  0.1781  1
]