data_[Na4Ca2Si2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.3702]
_cell_length_b [8.6455]
_cell_length_c [7.3364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Na2CaSiGe2]
_chemical_formula_sum '[Na4 Ca2 Si2 Ge4]'
_cell_volume [277.1872]
_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
[
  Na  Na0  2  0.0000  0.1577  0.3396  1.0
  Na  Na1  2  0.5000  0.0862  0.0189  1.0
  Ca  Ca2  2  0.0000  0.4447  0.0015  1.0
  Si  Si3  2  0.5000  0.3388  0.6614  1.0
  Ge  Ge4  2  0.0000  0.1860  0.7303  1.0
  Ge  Ge5  2  0.5000  0.3852  0.2939  1.0
]