data_[Er4Sb4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0808]
_cell_length_b [4.0346]
_cell_length_c [6.5515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErSbF]
_chemical_formula_sum '[Er4 Sb4 F4]'
_cell_volume [269.0400]
_cell_formula_units_Z [4]
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  0.1833  0.5000  0.7341  1
  Sb  Sb1  4  0.0449  0.0000  0.3171  1
  F  F2  4  0.2214  0.5000  0.1002  1
]