data_[Ca4Sn2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1198]
_cell_length_b [4.1996]
_cell_length_c [9.0111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2SnGe]
_chemical_formula_sum '[Ca4 Sn2 Ge2]'
_cell_volume [222.8664]
_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  0.1914  0.7500  0.4239  1
  Ca  Ca1  2  0.2835  0.2500  0.0608  1
  Sn  Sn2  2  0.3719  0.2500  0.7102  1
  Ge  Ge3  2  0.1276  0.7500  0.7919  1
]