data_[Rh1Se1Cl2]
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 [Pm]
_cell_length_a [5.1033]
_cell_length_b [3.5164]
_cell_length_c [5.2213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [RhSeCl2]
_chemical_formula_sum '[Rh1 Se1 Cl2]'
_cell_volume [87.5034]
_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  0.4966  0.0000  0.0209  1
  Se  Se1  1  0.6618  0.5000  0.3357  1
  Cl  Cl2  1  0.3464  0.5000  0.6509  1
  Cl  Cl3  1  0.9952  0.0000  0.9924  1
]