data_[Ca4Ni10Ge8]
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 [12.0977]
_cell_length_b [3.9650]
_cell_length_c [8.6438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Ni5Ge4]
_chemical_formula_sum '[Ca4 Ni10 Ge8]'
_cell_volume [365.7949]
_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  0.1963  0.0000  0.6592  1
  Ni  Ni1  4  0.0300  0.0000  0.2262  1
  Ni  Ni2  4  0.1585  0.5000  0.9042  1
  Ni  Ni3  2  0.0000  0.5000  0.0000  1
  Ge  Ge4  4  0.0352  0.5000  0.3666  1
  Ge  Ge5  4  0.1409  0.0000  0.0593  1
]