data_[Ca4La4Ag4Te4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1236]
_cell_length_b [14.1379]
_cell_length_c [11.5630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaLaAgTeS2]
_chemical_formula_sum '[Ca4 La4 Ag4 Te4 S8]'
_cell_volume [674.1065]
_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  0.0000  0.2015  0.7500  1
  La  La1  4  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.0000  0.4940  0.2500  1
  Te  Te3  4  0.0000  0.1246  0.2500  1
  S  S4  8  0.0000  0.3748  0.0863  1
]