data_[Rh2Se4Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.7165]
_cell_length_b [19.6866]
_cell_length_c [6.8102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [RhSe2Br]
_chemical_formula_sum '[Rh2 Se4 Br2]'
_cell_volume [567.0110]
_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
[
  Rh  Rh0  2  0.5000  0.4597  0.2500  1
  Se  Se1  4  0.2811  0.4421  0.8493  1
  Br  Br2  2  0.0000  0.3810  0.2500  1
]