data_[Sr6Ni6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [11.0128]
_cell_length_b [4.1305]
_cell_length_c [6.9011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrNi]
_chemical_formula_sum '[Sr6 Ni6]'
_cell_volume [313.6247]
_cell_formula_units_Z [6]
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
[
  Sr  Sr0  4  0.2207  0.5000  0.2082  1
  Sr  Sr1  2  0.0000  0.0000  0.5000  1
  Ni  Ni2  4  0.0557  0.5000  0.8543  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
]