data_[Cs2Rb4Sm2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Sm  1.1700  1.8500  1.2290
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8026]
_cell_length_b [7.1621]
_cell_length_c [11.7677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsRb2SmF6]
_chemical_formula_sum '[Cs2 Rb4 Sm2 F12]'
_cell_volume [474.9520]
_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
[
  Cs  Cs0  2  0.5000  0.0000  0.0000  1.0
  Rb  Rb1  4  0.2775  0.5426  0.7666  1.0
  Sm  Sm2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.0918  0.5863  0.2094  1.0
  F  F4  4  0.2433  0.2480  0.0905  1.0
  F  F5  4  0.3155  0.6585  0.0354  1.0
]