data_[P4Rh4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0808]
_cell_length_b [5.8701]
_cell_length_c [5.9995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PRhSe]
_chemical_formula_sum '[P4 Rh4 Se4]'
_cell_volume [208.7072]
_cell_formula_units_Z [4]
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
[
  P  P0  4  0.3626  0.1191  0.6434  1.0
  Rh  Rh1  4  0.2681  0.0166  0.2560  1.0
  Se  Se2  4  0.1579  0.6192  0.3401  1.0
]