data_[Sr2Ca6Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0833]
_cell_length_b [7.3242]
_cell_length_c [7.6900]
_cell_angle_alpha [94.2818]
_cell_angle_beta [98.4204]
_cell_angle_gamma [111.5789]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrCa3Ni]
_chemical_formula_sum '[Sr2 Ca6 Ni2]'
_cell_volume [363.3941]
_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
[
  Sr  Sr0  2  0.0294  0.2567  0.3869  1.0
  Ca  Ca1  2  0.0472  0.2293  0.9028  1.0
  Ca  Ca2  2  0.4635  0.6886  0.8003  1.0
  Ca  Ca3  2  0.4668  0.8020  0.2875  1.0
  Ni  Ni4  2  0.3151  0.9701  0.9533  1.0
]