data_[Ca2Nd4Ga4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3106]
_cell_length_b [4.1478]
_cell_length_c [8.2651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaNd2(GaNi2)2]
_chemical_formula_sum '[Ca2 Nd4 Ga4 Ni8]'
_cell_volume [348.8230]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1
  Nd  Nd1  4  0.1214  0.5000  0.3760  1
  Ga  Ga2  4  0.1791  0.5000  0.7840  1
  Ni  Ni3  4  0.0861  0.0000  0.6326  1
  Ni  Ni4  4  0.2435  0.5000  0.0856  1
]