data_[Ba4Ca6Ag4]
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 [C2/m]
_cell_length_a [13.0805]
_cell_length_b [4.6500]
_cell_length_c [9.7665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ca3Ag2]
_chemical_formula_sum '[Ba4 Ca6 Ag4]'
_cell_volume [540.0492]
_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
[
  Ba  Ba0  4  0.1505  0.0000  0.7934  1
  Ca  Ca1  4  0.1289  0.5000  0.4342  1
  Ca  Ca2  2  0.0000  0.5000  0.0000  1
  Ag  Ag3  4  0.1511  0.0000  0.2279  1
]