data_[Ca4Hg2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5055]
_cell_length_b [7.5055]
_cell_length_c [4.3851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2HgGe2]
_chemical_formula_sum '[Ca4 Hg2 Ge4]'
_cell_volume [247.0234]
_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  0.1764  0.3236  0.5000  1.0
  Hg  Hg1  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  4  0.1199  0.6199  0.0000  1.0
]