data_[Na2Sm1Cu1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [3.8302]
_cell_length_b [5.4400]
_cell_length_c [8.2074]
_cell_angle_alpha [84.1061]
_cell_angle_beta [89.8733]
_cell_angle_gamma [86.1524]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2SmCuF8]
_chemical_formula_sum '[Na2 Sm1 Cu1 F8]'
_cell_volume [169.7213]
_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
[
  Na  Na0  2  0.4967  0.4770  0.7633  1.0
  Sm  Sm1  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0225  0.3188  0.3052  1.0
  F  F4  2  0.0521  0.1481  0.7974  1.0
  F  F5  2  0.3576  0.7756  0.9765  1.0
  F  F6  2  0.4920  0.2127  0.5627  1.0
]