data_[Be6Ag6P6]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [20.7913]
_cell_length_b [4.9369]
_cell_length_c [7.1470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [BeAgP]
_chemical_formula_sum '[Be6 Ag6 P6]'
_cell_volume [733.5899]
_cell_formula_units_Z [6]
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  0.4113  0.0752  0.9578  1
  Be  Be1  2  0.5000  0.1635  0.7408  1
  Ag  Ag2  4  0.3607  0.3163  0.2348  1
  Ag  Ag3  2  0.5000  0.2953  0.4025  1
  P  P4  4  0.3862  0.1952  0.6793  1
  P  P5  2  0.5000  0.2539  0.0515  1
]