data_[Sr4Ca24Ni8]
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 [Immm]
_cell_length_a [10.3762]
_cell_length_b [10.6722]
_cell_length_c [10.7734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr(Ca3Ni)2]
_chemical_formula_sum '[Sr4 Ca24 Ni8]'
_cell_volume [1193.0203]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1
  Sr  Sr1  2  0.0000  0.5000  0.0000  1
  Ca  Ca2  8  0.0000  0.2264  0.2398  1
  Ca  Ca3  8  0.1888  0.1815  0.5000  1
  Ca  Ca4  8  0.1936  0.5000  0.3202  1
  Ni  Ni5  4  0.0000  0.0000  0.3881  1
  Ni  Ni6  4  0.0000  0.3887  0.5000  1
]