data_[Na2Ca6Y4Te12]
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
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7448]
_cell_length_b [13.3996]
_cell_length_c [7.7292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCa3(YTe3)2]
_chemical_formula_sum '[Na2 Ca6 Y4 Te12]'
_cell_volume [756.0136]
_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  0.0000  0.0000  1.0
  Ca  Ca1  4  0.0000  0.1644  0.5000  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  4  0.0000  0.3329  0.0000  1.0
  Te  Te4  8  0.2477  0.3299  0.7545  1.0
  Te  Te5  4  0.2414  0.5000  0.2444  1.0
]