data_[Ca6Dy4Ag2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  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 [7.7069]
_cell_length_b [13.3337]
_cell_length_c [7.6664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Dy2AgTe6]
_chemical_formula_sum '[Ca6 Dy4 Ag2 Te12]'
_cell_volume [742.1565]
_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
[
  Ca  Ca0  4  0.0000  0.1657  0.5000  1
  Ca  Ca1  2  0.0000  0.5000  0.5000  1
  Dy  Dy2  4  0.0000  0.3332  0.0000  1
  Ag  Ag3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2472  0.1669  0.2409  1
  Te  Te5  4  0.2462  0.5000  0.2407  1
]