data_[Ba1Nd1Mg1Co2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.7784]
_cell_length_b [5.5704]
_cell_length_c [7.7857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [BaNdMg(CoO3)2]
_chemical_formula_sum '[Ba1 Nd1 Mg1 Co2 O6]'
_cell_volume [163.8696]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Nd  Nd1  1  0.0000  0.0000  0.0000  1
  Mg  Mg2  1  0.0000  0.5000  0.0000  1
  Co  Co3  2  0.5000  0.5000  0.2663  1
  O  O4  2  0.0000  0.5000  0.2422  1
  O  O5  2  0.5000  0.0000  0.2004  1
  O  O6  1  0.5000  0.5000  0.0000  1
  O  O7  1  0.5000  0.5000  0.5000  1
]