data_[Rb3Ba6Ca3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4108]
_cell_length_b [4.4108]
_cell_length_c [43.6318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [RbBa2Ca]
_chemical_formula_sum '[Rb3 Ba6 Ca3]'
_cell_volume [735.1468]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5000  1.0
  Ba  Ba1  3  0.0000  0.0000  0.7411  1.0
  Ba  Ba2  3  0.0000  0.0000  0.9256  1.0
  Ca  Ca3  3  0.0000  0.0000  0.3333  1.0
]