data_[Al1Rh1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6752]
_cell_length_b [5.0891]
_cell_length_c [18.7786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [94.6551]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlRhSe3]
_chemical_formula_sum '[Al1 Rh1 Se3]'
_cell_volume [445.3196]
_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
[
  Al  Al0  1  0.2188  0.0365  0.4909  1
  Rh  Rh1  1  0.2835  0.5225  0.5024  1
  Se  Se2  1  0.3447  0.2256  0.6016  1
  Se  Se3  1  0.4716  0.8069  0.4004  1
  Se  Se4  1  0.8196  0.6685  0.5046  1
]