data_[Cs2Nd1Gd1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  Gd  1.2000  1.8000  1.0750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6061]
_cell_length_b [3.6061]
_cell_length_c [13.6237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs2NdGdO4]
_chemical_formula_sum '[Cs2 Nd1 Gd1 O4]'
_cell_volume [153.4292]
_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
[
  Cs  Cs0  2  0.3333  0.6667  0.7516  1
  Nd  Nd1  1  0.0000  0.0000  0.5000  1
  Gd  Gd2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.3333  0.6667  0.0827  1
  O  O4  2  0.3333  0.6667  0.4113  1
]