data_[Be4Ag4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6597]
_cell_length_b [7.0874]
_cell_length_c [12.0730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BeAgCl3]
_chemical_formula_sum '[Be4 Ag4 Cl12]'
_cell_volume [515.6384]
_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
[
  Be  Be0  4  0.3779  0.0777  0.3876  1.0
  Ag  Ag1  4  0.2234  0.5981  0.2501  1.0
  Cl  Cl2  4  0.1438  0.2253  0.8596  1.0
  Cl  Cl3  4  0.3183  0.6563  0.9746  1.0
  Cl  Cl4  4  0.3994  0.0013  0.2346  1.0
]