data_[Sr16Ca8Ga8]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [13.4139]
_cell_length_b [13.4139]
_cell_length_c [6.8402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Sr2CaGa]
_chemical_formula_sum '[Sr16 Ca8 Ga8]'
_cell_volume [1230.7729]
_cell_formula_units_Z [8]
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  8  0.0329  0.8640  0.7344  1
  Sr  Sr1  8  0.0844  0.3790  0.4937  1
  Ca  Ca2  8  0.1691  0.2796  0.0194  1
  Ga  Ga3  8  0.0562  0.7917  0.2332  1
]