data_[Sn4Rh2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.8134]
_cell_length_b [3.9082]
_cell_length_c [12.1850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Sn2RhSe]
_chemical_formula_sum '[Sn4 Rh2 Se2]'
_cell_volume [181.6035]
_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
[
  Sn  Sn0  2  0.0000  0.3666  0.6645  1
  Sn  Sn1  2  0.5000  0.1163  0.3666  1
  Rh  Rh2  2  0.0000  0.3875  0.8764  1
  Se  Se3  2  0.5000  0.1322  0.0926  1
]