data_[Rb4Er4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Er  1.2400  1.7500  1.0300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3778]
_cell_length_b [17.9081]
_cell_length_c [6.4728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [RbErF4]
_chemical_formula_sum '[Rb4 Er4 F16]'
_cell_volume [507.4611]
_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
[
  Rb  Rb0  4  0.0000  0.1908  0.2173  1.0
  Er  Er1  4  0.0000  0.4165  0.2199  1.0
  F  F2  4  0.0000  0.0806  0.7207  1.0
  F  F3  4  0.0000  0.3297  0.4431  1.0
  F  F4  4  0.0000  0.3315  0.9918  1.0
  F  F5  4  0.0000  0.4985  0.4738  1.0
]