data_[Y5P5]
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 [P2]
_cell_length_a [17.8176]
_cell_length_b [5.1407]
_cell_length_c [17.8176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [YP]
_chemical_formula_sum '[Y5 P5]'
_cell_volume [1413.3713]
_cell_formula_units_Z [5]
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  2  0.0647  0.9622  0.8968  1
  Y  Y1  2  0.1566  0.9622  0.1342  1
  Y  Y2  1  0.0000  0.5337  0.0000  1
  P  P3  2  0.0701  0.6383  0.1811  1
  P  P4  2  0.1685  0.6375  0.0236  1
  P  P5  1  0.0000  0.0470  0.0000  1
]