data_[Mg2V4C8O24]
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 [C2]
_cell_length_a [8.8100]
_cell_length_b [8.6401]
_cell_length_c [5.8729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MgV2(CO3)4]
_chemical_formula_sum '[Mg2 V4 C8 O24]'
_cell_volume [420.2874]
_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
[
  Mg  Mg0  2  0.0000  0.5961  0.0000  1.0
  V  V1  2  0.0000  0.1953  0.0000  1.0
  V  V2  2  0.0000  0.8046  0.5000  1.0
  C  C3  4  0.2125  0.9057  0.9630  1.0
  C  C4  4  0.2192  0.0942  0.4851  1.0
  O  O5  4  0.1158  0.7883  0.8706  1.0
  O  O6  4  0.1304  0.6285  0.3819  1.0
  O  O7  4  0.1320  0.3871  0.9556  1.0
  O  O8  4  0.1323  0.2005  0.3492  1.0
  O  O9  4  0.1598  0.0419  0.9640  1.0
  O  O10  4  0.1667  0.9576  0.4944  1.0
]