data_[Ca4Yb4Bi4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Yb  1.1000  1.7500  1.0840
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.6880]
_cell_length_b [4.6880]
_cell_length_c [16.5594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ca2Yb2Bi2O]
_chemical_formula_sum '[Ca4 Yb4 Bi4 O2]'
_cell_volume [363.9327]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.3330  1
  Ca  Ca1  2  0.0000  0.0000  0.6608  1
  Yb  Yb2  4  0.0000  0.5000  0.0005  1
  Bi  Bi3  2  0.0000  0.0000  0.1393  1
  Bi  Bi4  2  0.0000  0.0000  0.8602  1
  O  O5  2  0.0000  0.0000  0.5057  1
]