data_[Rb4Ba2In2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.7690]
_cell_length_b [9.7592]
_cell_length_c [9.2613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Rb2BaInAs2]
_chemical_formula_sum '[Rb4 Ba2 In2 As4]'
_cell_volume [431.0380]
_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  2  0.0000  0.1797  0.3660  1.0
  Rb  Rb1  2  0.5000  0.0870  0.0398  1.0
  Ba  Ba2  2  0.0000  0.4538  0.9723  1.0
  In  In3  2  0.5000  0.3135  0.6675  1.0
  As  As4  2  0.0000  0.1763  0.7518  1.0
  As  As5  2  0.5000  0.4166  0.2481  1.0
]