data_[Rb6B2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0522]
_cell_length_b [11.6276]
_cell_length_c [6.8993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Rb3BSe3]
_chemical_formula_sum '[Rb6 B2 Se6]'
_cell_volume [483.8720]
_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
[
  Rb  Rb0  4  0.2345  0.5367  0.8282  1
  Rb  Rb1  2  0.2699  0.2500  0.4844  1
  B  B2  2  0.1431  0.7500  0.2243  1
  Se  Se3  4  0.2601  0.6022  0.3335  1
  Se  Se4  2  0.1060  0.2500  0.9827  1
]