data_[Rh2Se1Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4335]
_cell_length_b [3.4335]
_cell_length_c [6.0907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Rh2SeCl]
_chemical_formula_sum '[Rh2 Se1 Cl1]'
_cell_volume [71.8047]
_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
[
  Rh  Rh0  1  0.0000  0.0000  0.0002  1
  Rh  Rh1  1  0.5000  0.5000  0.2494  1
  Se  Se2  1  0.0000  0.0000  0.3982  1
  Cl  Cl3  1  0.5000  0.5000  0.8522  1
]