data_[Y4P12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5695]
_cell_length_b [7.0939]
_cell_length_c [5.1778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YP3]
_chemical_formula_sum '[Y4 P12]'
_cell_volume [293.7829]
_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
[
  Y  Y0  4  0.1681  0.5000  0.3470  1
  P  P1  8  0.1364  0.2792  0.7990  1
  P  P2  4  0.0008  0.0000  0.7773  1
]