data_[Ba1Cr2Rh1Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.1938]
_cell_length_b [6.1938]
_cell_length_c [9.0165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [BaCr2RhSe8]
_chemical_formula_sum '[Ba1 Cr2 Rh1 Se8]'
_cell_volume [299.5597]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.0000  1
  Cr  Cr1  2  0.3333  0.6667  0.7452  1
  Rh  Rh2  1  0.0000  0.0000  0.5000  1
  Se  Se3  6  0.0096  0.6797  0.3336  1
  Se  Se4  2  0.3333  0.6667  0.9920  1
]