data_[Y8P2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3559]
_cell_length_b [3.9182]
_cell_length_c [7.9804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y4PCl5]
_chemical_formula_sum '[Y8 P2 Cl10]'
_cell_volume [528.2213]
_cell_formula_units_Z [2]
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
[
  Y  Y0  4  0.0000  0.0000  0.7748  1
  Y  Y1  4  0.1532  0.5000  0.0856  1
  P  P2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  4  0.1660  0.0000  0.3308  1
  Cl  Cl4  4  0.1732  0.0000  0.8467  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]