data_[Sb2P4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.7292]
_cell_length_b [3.4429]
_cell_length_c [4.3245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SbP2Se]
_chemical_formula_sum '[Sb2 P4 Se2]'
_cell_volume [197.7089]
_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
[
  Sb  Sb0  2  0.4986  0.0000  0.5079  1
  P  P1  2  0.0584  0.0000  0.1447  1
  P  P2  2  0.1686  0.5000  0.9785  1
  Se  Se3  2  0.2744  0.0000  0.8689  1
]