data_[Ba4Sr12Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0916]
_cell_length_b [4.2407]
_cell_length_c [13.8663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSr3Ni2]
_chemical_formula_sum '[Ba4 Sr12 Ni8]'
_cell_volume [916.4474]
_cell_formula_units_Z [4]
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  4  0.1597  0.0000  0.7585  1
  Sr  Sr1  4  0.0926  0.5000  0.4443  1
  Sr  Sr2  4  0.0929  0.5000  0.9512  1
  Sr  Sr3  4  0.1587  0.0000  0.2641  1
  Ni  Ni4  4  0.2404  0.0000  0.0294  1
  Ni  Ni5  4  0.2409  0.0000  0.5274  1
]