data_[Ca2Cd8Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [8.6015]
_cell_length_b [4.1958]
_cell_length_c [7.3303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [CaCd4Ni]
_chemical_formula_sum '[Ca2 Cd8 Ni2]'
_cell_volume [264.5503]
_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  0.2500  0.0000  0.4060  1.0
  Cd  Cd1  4  0.0618  0.5000  0.6908  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  2  0.2500  0.5000  0.0587  1.0
  Ni  Ni4  2  0.2500  0.0000  0.7963  1.0
]