data_[Er4In2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3691]
_cell_length_b [3.5944]
_cell_length_c [5.5165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2InF8]
_chemical_formula_sum '[Er4 In2 F16]'
_cell_volume [289.1210]
_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  4  0.1823  0.0000  0.6917  1
  In  In1  2  0.0000  0.5000  0.0000  1
  F  F2  4  0.0514  0.0000  0.8166  1
  F  F3  4  0.1035  0.5000  0.4648  1
  F  F4  4  0.1868  0.5000  0.9641  1
  F  F5  4  0.2187  0.0000  0.3334  1
]