data_[Ba6Sr3Nd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1591]
_cell_length_b [4.1591]
_cell_length_c [40.7671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba2SrNd]
_chemical_formula_sum '[Ba6 Sr3 Nd3]'
_cell_volume [610.7051]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0894  1
  Ba  Ba1  3  0.0000  0.0000  0.2440  1
  Sr  Sr2  3  0.0000  0.0000  0.6663  1
  Nd  Nd3  3  0.0000  0.0000  0.5002  1
]