data_[Na2Ca4Sn6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8736]
_cell_length_b [4.4369]
_cell_length_c [9.1850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCa2(SnTe2)3]
_chemical_formula_sum '[Na2 Ca4 Sn6 Te12]'
_cell_volume [783.6968]
_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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1
  Ca  Ca1  4  0.1665  0.0000  0.3308  1
  Sn  Sn2  4  0.1675  0.0000  0.8338  1
  Sn  Sn3  2  0.0000  0.5000  0.5000  1
  Te  Te4  4  0.0019  0.0000  0.2611  1
  Te  Te5  4  0.1661  0.5000  0.5807  1
  Te  Te6  4  0.1695  0.5000  0.0842  1
]