data_[Ca2Er4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Er  1.2400  1.7500  1.0300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.8760]
_cell_length_b [10.0719]
_cell_length_c [4.2603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaEr2F8]
_chemical_formula_sum '[Ca2 Er4 F16]'
_cell_volume [286.4114]
_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
[
  Ca  Ca0  2  0.0062  0.0000  0.8713  1.0
  Er  Er1  4  0.4936  0.1800  0.5036  1.0
  F  F2  4  0.0015  0.2388  0.0112  1.0
  F  F3  4  0.1910  0.1362  0.5999  1.0
  F  F4  4  0.3050  0.3648  0.4471  1.0
  F  F5  2  0.1162  0.5000  0.7962  1.0
  F  F6  2  0.3616  0.0000  0.2092  1.0
]