data_[Na4Sm4In4Te12]
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
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4584]
_cell_length_b [15.3175]
_cell_length_c [11.4977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaSmInTe3]
_chemical_formula_sum '[Na4 Sm4 In4 Te12]'
_cell_volume [785.2035]
_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
[
  Na  Na0  4  0.0000  0.2700  0.7500  1
  Sm  Sm1  4  0.0000  0.5000  0.0000  1
  In  In2  4  0.0000  0.0231  0.2500  1
  Te  Te3  8  0.0000  0.1427  0.0532  1
  Te  Te4  4  0.0000  0.3944  0.2500  1
]