data_[Ca8Ga4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3664]
_cell_length_b [5.6152]
_cell_length_c [7.5773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2GaNi2]
_chemical_formula_sum '[Ca8 Ga4 Ni8]'
_cell_volume [389.6192]
_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
[
  Ca  Ca0  8  0.1495  0.3680  0.1484  1.0
  Ga  Ga1  4  0.0000  0.1163  0.7500  1.0
  Ni  Ni2  8  0.1316  0.1349  0.5031  1.0
]