data_[Ba2Mg2C4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2479]
_cell_length_b [5.2650]
_cell_length_c [6.4149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaMg(CO2)2]
_chemical_formula_sum '[Ba2 Mg2 C4 O8]'
_cell_volume [228.0738]
_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  2  0.0000  0.5000  0.5000  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  C  C2  4  0.2332  0.0000  0.8200  1
  O  O3  8  0.1855  0.2903  0.2196  1
]