data_[Ba1Na1Sr6Ni1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4351]
_cell_length_b [7.4392]
_cell_length_c [8.4663]
_cell_angle_alpha [89.1756]
_cell_angle_beta [72.3457]
_cell_angle_gamma [81.0590]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaNaSr6Ni]
_chemical_formula_sum '[Ba1 Na1 Sr6 Ni1]'
_cell_volume [440.5373]
_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  1  0.6894  0.8552  0.4976  1.0
  Na  Na1  1  0.6942  0.8437  0.9944  1.0
  Sr  Sr2  1  0.1923  0.0955  0.8627  1.0
  Sr  Sr3  1  0.1943  0.5814  0.6186  1.0
  Sr  Sr4  1  0.2003  0.6054  0.1145  1.0
  Sr  Sr5  1  0.2100  0.1048  0.3640  1.0
  Sr  Sr6  1  0.6807  0.3411  0.7455  1.0
  Sr  Sr7  1  0.6947  0.3489  0.2466  1.0
  Ni  Ni8  1  0.4444  0.2237  0.5560  1.0
]