data_[Ca4Nd2Ga4Ni8]
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 [10.1290]
_cell_length_b [4.1368]
_cell_length_c [8.2194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Nd(GaNi2)2]
_chemical_formula_sum '[Ca4 Nd2 Ga4 Ni8]'
_cell_volume [338.7420]
_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  4  0.1261  0.5000  0.3845  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.1758  0.5000  0.7793  1
  Ni  Ni3  4  0.0848  0.0000  0.6407  1
  Ni  Ni4  4  0.2368  0.5000  0.0853  1
]