data_[Rb6Ca3Zr9O24]
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
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.6481]
_cell_length_b [6.6481]
_cell_length_c [20.5727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Rb2CaZr3O8]
_chemical_formula_sum '[Rb6 Ca3 Zr9 O24]'
_cell_volume [787.4520]
_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  0.5082  1.0
  Rb  Rb1  3  0.0000  0.0000  0.8610  1.0
  Ca  Ca2  3  0.0000  0.0000  0.0265  1.0
  Zr  Zr3  9  0.0025  0.5013  0.0087  1.0
  O  O4  9  0.0168  0.5084  0.2934  1.0
  O  O5  9  0.1848  0.3695  0.0627  1.0
  O  O6  3  0.0000  0.0000  0.2899  1.0
  O  O7  3  0.0000  0.0000  0.7275  1.0
]