data_[Ba7Sr1N3]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [8.2082]
_cell_length_b [8.2082]
_cell_length_c [7.3824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ba7SrN3]
_chemical_formula_sum '[Ba7 Sr1 N3]'
_cell_volume [430.7413]
_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  3  0.1773  0.3547  0.0064  1.0
  Ba  Ba1  3  0.3526  0.1763  0.4289  1.0
  Ba  Ba2  1  0.6667  0.3333  0.0142  1.0
  Sr  Sr3  1  0.3333  0.6667  0.4070  1.0
  N  N4  3  0.0074  0.5037  0.2193  1.0
]