data_[Ca6Zn3Mo3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5696]
_cell_length_b [5.5696]
_cell_length_c [13.9168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ca2ZnMoO6]
_chemical_formula_sum '[Ca6 Zn3 Mo3 O18]'
_cell_volume [373.8691]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.2247  1.0
  Ca  Ca1  3  0.0000  0.0000  0.7254  1.0
  Zn  Zn2  3  0.0000  0.0000  0.4888  1.0
  Mo  Mo3  3  0.0000  0.0000  0.9995  1.0
  O  O4  9  0.0282  0.6070  0.7574  1.0
  O  O5  9  0.0855  0.3431  0.5964  1.0
]