data_[Ba8Ca2Cu4C2O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.2965]
_cell_length_b [8.1291]
_cell_length_c [8.3926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ba4CaCu2CO9]
_chemical_formula_sum '[Ba8 Ca2 Cu4 C2 O18]'
_cell_volume [566.0306]
_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
[
  Ba  Ba0  8  0.2326  0.2484  0.2589  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0052  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5078  1.0
  Cu  Cu3  2  0.5000  0.0000  0.9923  1.0
  C  C4  2  0.5000  0.0000  0.4868  1.0
  O  O5  4  0.0000  0.2263  0.5078  1.0
  O  O6  4  0.2812  0.0000  0.9953  1.0
  O  O7  4  0.3631  0.0000  0.5623  1.0
  O  O8  2  0.0000  0.0000  0.2834  1.0
  O  O9  2  0.0000  0.0000  0.7304  1.0
  O  O10  2  0.5000  0.0000  0.3309  1.0
]