data_[Ca4Ni12Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9001]
_cell_length_b [3.8676]
_cell_length_c [7.2487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaNi3Ge2]
_chemical_formula_sum '[Ca4 Ni12 Ge8]'
_cell_volume [379.3707]
_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  4  0.1526  0.0000  0.0681  1.0
  Ni  Ni1  4  0.0378  0.0000  0.3752  1.0
  Ni  Ni2  4  0.0872  0.5000  0.6530  1.0
  Ni  Ni3  4  0.1836  0.5000  0.4424  1.0
  Ge  Ge4  4  0.0200  0.5000  0.1873  1.0
  Ge  Ge5  4  0.1870  0.0000  0.6677  1.0
]