data_[Sr2Ca4Sn6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [20.0329]
_cell_length_b [4.5776]
_cell_length_c [9.2169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrCa2(SnTe2)3]
_chemical_formula_sum '[Sr2 Ca4 Sn6 Te12]'
_cell_volume [821.2812]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  4  0.1679  0.0000  0.3352  1.0
  Sn  Sn2  4  0.1671  0.0000  0.8318  1.0
  Sn  Sn3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  4  0.0026  0.0000  0.2589  1.0
  Te  Te5  4  0.1670  0.5000  0.5832  1.0
  Te  Te6  4  0.1707  0.5000  0.0881  1.0
]