data_[Gd4Mn2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3411]
_cell_length_b [5.6520]
_cell_length_c [9.2834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Gd2MnNiO6]
_chemical_formula_sum '[Gd4 Mn2 Ni2 O12]'
_cell_volume [230.4660]
_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
[
  Gd  Gd0  4  0.2707  0.0657  0.7521  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  2  0.5000  0.0000  0.5000  1.0
  O  O3  4  0.1359  0.0373  0.2404  1.0
  O  O4  4  0.2432  0.7126  0.0581  1.0
  O  O5  4  0.3432  0.1890  0.0493  1.0
]