data_[Y2Er4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8443]
_cell_length_b [10.2215]
_cell_length_c [4.1880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YEr2F8]
_chemical_formula_sum '[Y2 Er4 F16]'
_cell_volume [286.9116]
_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
[
  Y  Y0  2  0.0000  0.0000  0.5000  1
  Er  Er1  4  0.0000  0.3195  0.0000  1
  F  F2  8  0.1958  0.1386  0.1056  1
  F  F3  4  0.0000  0.2398  0.5000  1
  F  F4  4  0.1294  0.5000  0.2881  1
]