data_[Y3P3]
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 [P1]
_cell_length_a [4.7885]
_cell_length_b [17.3112]
_cell_length_c [17.3112]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [YP]
_chemical_formula_sum '[Y3 P3]'
_cell_volume [1242.7511]
_cell_formula_units_Z [3]
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  1  0.3006  0.9011  0.5258  1
  Y  Y1  1  0.7781  0.9817  0.3966  1
  Y  Y2  1  0.7881  0.0702  0.6101  1
  P  P3  1  0.2642  0.0364  0.4915  1
  P  P4  1  0.5699  0.1418  0.5184  1
  P  P5  1  0.7991  0.8688  0.4576  1
]