data_[Ca2Mg1Ge3Pd4]
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
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2374]
_cell_length_b [4.2374]
_cell_length_c [10.8853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ca2MgGe3Pd4]
_chemical_formula_sum '[Ca2 Mg1 Ge3 Pd4]'
_cell_volume [195.4540]
_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  0.7592  1.0
  Mg  Mg1  1  0.5000  0.5000  0.5000  1.0
  Ge  Ge2  2  0.0000  0.5000  0.1285  1.0
  Ge  Ge3  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  2  0.0000  0.5000  0.3566  1.0
  Pd  Pd5  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd6  1  0.5000  0.5000  0.0000  1.0
]