data_[Mg3V3C6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [4.7600]
_cell_length_b [4.7600]
_cell_length_c [16.4003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MgV(CO3)2]
_chemical_formula_sum '[Mg3 V3 C6 O18]'
_cell_volume [321.8017]
_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
[
  Mg  Mg0  3  0.0000  0.0000  0.1740  1
  V  V1  3  0.0000  0.0000  0.9935  1
  C  C2  3  0.0000  0.0000  0.4170  1
  C  C3  3  0.0000  0.0000  0.5851  1
  O  O4  9  0.0660  0.3887  0.2512  1
  O  O5  9  0.0909  0.7213  0.0851  1
]