data_[Ca4Ag4Cl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0280]
_cell_length_b [12.2692]
_cell_length_c [6.9252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Ag2Cl7]
_chemical_formula_sum '[Ca4 Ag4 Cl14]'
_cell_volume [677.4590]
_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  0.3174  0.5000  1.0
  Ag  Ag1  4  0.2337  0.5000  0.1391  1.0
  Cl  Cl2  8  0.2367  0.1966  0.7259  1.0
  Cl  Cl3  4  0.0700  0.5000  0.7473  1.0
  Cl  Cl4  2  0.0000  0.0000  0.0000  1.0
]