data_[Sm8Te8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6724]
_cell_length_b [4.4330]
_cell_length_c [7.8331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Te2F]
_chemical_formula_sum '[Sm8 Te8 F4]'
_cell_volume [713.0400]
_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
[
  Sm  Sm0  4  0.1656  0.5000  0.4115  1
  Sm  Sm1  4  0.1757  0.0000  0.8754  1
  Te  Te2  4  0.0879  0.5000  0.7129  1
  Te  Te3  4  0.1022  0.0000  0.1930  1
  F  F4  4  0.2228  0.0000  0.5932  1
]