data_[Rb2Sm1Cu1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9017]
_cell_length_b [6.4977]
_cell_length_c [6.8169]
_cell_angle_alpha [113.4267]
_cell_angle_beta [112.9726]
_cell_angle_gamma [97.7509]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2SmCuF6]
_chemical_formula_sum '[Rb2 Sm1 Cu1 F6]'
_cell_volume [207.4172]
_cell_formula_units_Z [1]
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  2  0.2366  0.7186  0.4413  1
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  1  0.5000  0.5000  0.0000  1
  F  F3  2  0.1330  0.2567  0.3928  1
  F  F4  2  0.2246  0.3154  0.9955  1
  F  F5  2  0.3433  0.8888  0.1436  1
]