data_[Er8C6F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  C  2.5500  0.7000  0.3000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.1104]
_cell_length_b [10.0254]
_cell_length_c [3.5534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er4C3F]
_chemical_formula_sum '[Er8 C6 F2]'
_cell_volume [253.2976]
_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  0.0000  0.2563  0.5000  1
  Er  Er1  4  0.2288  0.5000  0.0000  1
  C  C2  4  0.2500  0.2500  0.0000  1
  C  C3  2  0.0000  0.5000  0.5000  1
  F  F4  2  0.0000  0.0000  0.5000  1
]