data_[Rb4Ca2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1377]
_cell_length_b [7.9394]
_cell_length_c [9.0901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Rb2CaCl4]
_chemical_formula_sum '[Rb4 Ca2 Cl8]'
_cell_volume [558.6556]
_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  0.2627  0.7500  0.4484  1.0
  Rb  Rb1  2  0.3206  0.7500  0.9496  1.0
  Ca  Ca2  2  0.2181  0.2500  0.1876  1.0
  Cl  Cl3  4  0.4561  0.0124  0.2466  1.0
  Cl  Cl4  2  0.0145  0.2500  0.9050  1.0
  Cl  Cl5  2  0.0217  0.2500  0.3632  1.0
]