data_[Y4Si2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5111]
_cell_length_b [4.0303]
_cell_length_c [4.0596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y2SiP]
_chemical_formula_sum '[Y4 Si2 P2]'
_cell_volume [171.2253]
_cell_formula_units_Z [2]
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  0.0113  0.0000  0.8667  1
  Y  Y1  2  0.2382  0.5000  0.3874  1
  Si  Si2  2  0.2871  0.0000  0.9078  1
  P  P3  2  0.4634  0.0000  0.3381  1
]