data_[Yb8Be4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Be  1.5700  1.0500  0.5900
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5600]
_cell_length_b [4.5600]
_cell_length_c [25.5036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Yb2BeP2]
_chemical_formula_sum '[Yb8 Be4 P8]'
_cell_volume [530.3033]
_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
[
  Yb  Yb0  4  0.0000  0.0000  0.1696  1
  Yb  Yb1  4  0.0000  0.5000  0.0000  1
  Be  Be2  4  0.0000  0.0000  0.2739  1
  P  P3  4  0.0000  0.0000  0.0651  1
  P  P4  4  0.0000  0.5000  0.2500  1
]