data_[Yb2P1I3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  P  2.1900  1.0000  0.5500
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.1927]
_cell_length_b [22.1391]
_cell_length_c [5.1401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Yb2PI3]
_chemical_formula_sum '[Yb2 P1 I3]'
_cell_volume [453.3336]
_cell_formula_units_Z [1]
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  2  0.4356  0.4106  0.7385  1
  P  P1  1  0.9320  0.5000  0.7463  1
  I  I2  2  0.8038  0.3388  0.3359  1
  I  I3  1  0.4136  0.5000  0.2458  1
]