data_[Ba4Ca4Ag4F28]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9113]
_cell_length_b [10.6179]
_cell_length_c [10.1925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaCaAgF7]
_chemical_formula_sum '[Ba4 Ca4 Ag4 F28]'
_cell_volume [639.3907]
_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  0.2711  0.6679  0.5033  1
  Ca  Ca1  4  0.2936  0.0898  0.6813  1
  Ag  Ag2  4  0.1906  0.1215  0.3101  1
  F  F3  4  0.0011  0.2178  0.7427  1
  F  F4  4  0.0620  0.0316  0.1375  1
  F  F5  4  0.1193  0.5834  0.0988  1
  F  F6  4  0.2902  0.2102  0.4904  1
  F  F7  4  0.3489  0.5458  0.8775  1
  F  F8  4  0.4155  0.0346  0.8770  1
  F  F9  4  0.4830  0.2140  0.2362  1
]