data_[Y4P1C1Se2]
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
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8199]
_cell_length_b [3.9004]
_cell_length_c [6.9884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Y4PCSe2]
_chemical_formula_sum '[Y4 P1 C1 Se2]'
_cell_volume [176.0793]
_cell_formula_units_Z [1]
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  0.2204  0.5000  0.2110  1.0
  Y  Y1  2  0.2397  0.0000  0.7815  1.0
  P  P2  1  0.5000  0.5000  0.0000  1.0
  C  C3  1  0.0000  0.0000  0.0000  1.0
  Se  Se4  1  0.0000  0.5000  0.5000  1.0
  Se  Se5  1  0.5000  0.0000  0.5000  1.0
]