data_[Rb3Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4098]
_cell_length_b [4.6509]
_cell_length_c [12.4399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Rb3Cl]
_chemical_formula_sum '[Rb3 Cl1]'
_cell_volume [255.1370]
_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  0.0000  0.5000  0.4613  1.0
  Rb  Rb1  1  0.5000  0.0000  0.7854  1.0
  Rb  Rb2  1  0.5000  0.5000  0.0910  1.0
  Cl  Cl3  1  0.0000  0.0000  0.9957  1.0
]