data_[K1Rb2Ta1Cl8]
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
  Ta  1.5000  1.4500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7776]
_cell_length_b [9.7327]
_cell_length_c [7.3077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7242]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KRb2TaCl8]
_chemical_formula_sum '[K1 Rb2 Ta1 Cl8]'
_cell_volume [482.0059]
_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  2  0.5000  0.2631  0.5000  1.0
  K  K1  1  0.0000  0.5000  0.0000  1.0
  Ta  Ta2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2057  0.1704  0.8734  1.0
  Cl  Cl4  2  0.1970  0.0000  0.2719  1.0
  Cl  Cl5  2  0.2852  0.5000  0.3016  1.0
]