data_[Ba4Ca8Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5975]
_cell_length_b [15.1127]
_cell_length_c [9.8228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba(CaAg)2]
_chemical_formula_sum '[Ba4 Ca8 Ag8]'
_cell_volume [682.4913]
_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
[
  Ba  Ba0  4  0.0000  0.4073  0.3460  1
  Ca  Ca1  4  0.0000  0.1144  0.1989  1
  Ca  Ca2  4  0.0000  0.3123  0.9665  1
  Ag  Ag3  4  0.0000  0.0591  0.5290  1
  Ag  Ag4  4  0.0000  0.2418  0.6640  1
]