data_[Ca2Mg1Zn4Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2098]
_cell_length_b [4.2098]
_cell_length_c [11.2556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ca2MgZn4Ge3]
_chemical_formula_sum '[Ca2 Mg1 Zn4 Ge3]'
_cell_volume [199.4790]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.7642  1
  Mg  Mg1  1  0.5000  0.5000  0.5000  1
  Zn  Zn2  2  0.0000  0.5000  0.3551  1
  Zn  Zn3  1  0.0000  0.0000  0.0000  1
  Zn  Zn4  1  0.5000  0.5000  0.0000  1
  Ge  Ge5  2  0.0000  0.5000  0.1353  1
  Ge  Ge6  1  0.0000  0.0000  0.5000  1
]