data_[Rb1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5171]
_cell_length_b [5.0559]
_cell_length_c [5.5490]
_cell_angle_alpha [100.8812]
_cell_angle_beta [110.9636]
_cell_angle_gamma [92.7927]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbSe2]
_chemical_formula_sum '[Rb1 Se2]'
_cell_volume [115.2748]
_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
[
  Rb  Rb0  1  0.5000  0.0000  0.5000  1.0
  Se  Se1  2  0.2453  0.3913  0.0009  1.0
]