data_[Y6P6]
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_1/m]
_cell_length_a [18.1660]
_cell_length_b [5.5025]
_cell_length_c [18.1660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YP]
_chemical_formula_sum '[Y6 P6]'
_cell_volume [1572.5727]
_cell_formula_units_Z [6]
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  0.3970  0.7500  0.0859  1
  Y  Y1  2  0.4141  0.2500  0.9467  1
  Y  Y2  2  0.4445  0.7500  0.8156  1
  P  P3  2  0.3843  0.2500  0.0847  1
  P  P4  2  0.4056  0.7500  0.9413  1
  P  P5  2  0.4339  0.2500  0.8023  1
]