data_[Rb4Ca4Cl12]
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/c]
_cell_length_a [9.8565]
_cell_length_b [7.1121]
_cell_length_c [9.9560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbCaCl3]
_chemical_formula_sum '[Rb4 Ca4 Cl12]'
_cell_volume [642.0638]
_cell_formula_units_Z [4]
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  0.3843  0.2388  0.3651  1
  Ca  Ca1  4  0.0895  0.7405  0.6183  1
  Cl  Cl2  4  0.0678  0.5640  0.8638  1
  Cl  Cl3  4  0.1823  0.0853  0.0357  1
  Cl  Cl4  4  0.3734  0.6886  0.2876  1
]