data_[Rb16Bi4As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.0901]
_cell_length_b [19.8800]
_cell_length_c [9.0591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Rb8Bi2As]
_chemical_formula_sum '[Rb16 Bi4 As2]'
_cell_volume [1096.7864]
_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  0.0000  0.0970  0.7894  1
  Rb  Rb1  4  0.0000  0.2956  0.4729  1
  Rb  Rb2  4  0.0000  0.3482  0.9569  1
  Rb  Rb3  2  0.0000  0.0000  0.4118  1
  Rb  Rb4  2  0.0000  0.5000  0.5792  1
  Bi  Bi5  4  0.0000  0.1585  0.1872  1
  As  As6  2  0.0000  0.5000  0.1875  1
]