data_[Sr1Ca1Ge2Pd5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3953]
_cell_length_b [4.3953]
_cell_length_c [9.0434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [SrCaGe2Pd5]
_chemical_formula_sum '[Sr1 Ca1 Ge2 Pd5]'
_cell_volume [174.7077]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.5000  1.0
  Ca  Ca1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.5000  0.5000  0.1424  1.0
  Pd  Pd3  4  0.0000  0.5000  0.2656  1.0
  Pd  Pd4  1  0.5000  0.5000  0.5000  1.0
]