data_[K4Rb6Ca2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [C2/m]
_cell_length_a [7.9398]
_cell_length_b [13.8023]
_cell_length_c [8.2728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Rb3CaCl6]
_chemical_formula_sum '[K4 Rb6 Ca2 Cl12]'
_cell_volume [861.5492]
_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  0.1657  0.5000  1.0
  K  K1  4  0.0000  0.3333  0.0000  1.0
  Rb  Rb2  2  0.0000  0.5000  0.5000  1.0
  Ca  Ca3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  8  0.2131  0.1450  0.2026  1.0
  Cl  Cl5  4  0.2239  0.0000  0.7922  1.0
]