data_[Ba2Sr2Ni2]
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 [P2_1/m]
_cell_length_a [7.4904]
_cell_length_b [4.2476]
_cell_length_c [7.9177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSrNi]
_chemical_formula_sum '[Ba2 Sr2 Ni2]'
_cell_volume [249.1766]
_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
[
  Ba  Ba0  2  0.1703  0.7500  0.2888  1.0
  Sr  Sr1  2  0.3615  0.7500  0.7832  1.0
  Ni  Ni2  2  0.4432  0.2500  0.5149  1.0
]