data_[Y16P4H4C8]
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
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7347]
_cell_length_b [12.1168]
_cell_length_c [12.5527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y4PHC2]
_chemical_formula_sum '[Y16 P4 H4 C8]'
_cell_volume [568.0376]
_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  8  0.0000  0.2655  0.1096  1.0
  Y  Y1  4  0.0000  0.0000  0.0000  1.0
  Y  Y2  4  0.0000  0.4393  0.7500  1.0
  P  P3  4  0.0000  0.1134  0.7500  1.0
  H  H4  4  0.0000  0.1542  0.2500  1.0
  C  C5  8  0.0000  0.3663  0.5603  1.0
]