data_[Ca4Y4Ag4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5908]
_cell_length_b [4.3013]
_cell_length_c [8.8576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2254]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaYAgTe3]
_chemical_formula_sum '[Ca4 Y4 Ag4 Te12]'
_cell_volume [729.4758]
_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
[
  Ca  Ca0  4  0.1247  0.0000  0.5701  1
  Y  Y1  4  0.1635  0.0000  0.0904  1
  Ag  Ag2  4  0.0427  0.5000  0.2140  1
  Te  Te3  4  0.1729  0.5000  0.8473  1
  Te  Te4  4  0.1867  0.5000  0.3482  1
  Te  Te5  2  0.0000  0.0000  0.0000  1
  Te  Te6  2  0.0000  0.5000  0.5000  1
]