data_[P2Rh2Se4]
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 [Cm]
_cell_length_a [7.8162]
_cell_length_b [3.2831]
_cell_length_c [6.7237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PRhSe2]
_chemical_formula_sum '[P2 Rh2 Se4]'
_cell_volume [171.8475]
_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
[
  P  P0  2  0.0075  0.5000  0.6859  1
  Rh  Rh1  2  0.2869  0.5000  0.5781  1
  Se  Se2  2  0.2601  0.0000  0.3067  1
  Se  Se3  2  0.4455  0.5000  0.9294  1
]