data_[Sr2Ca4Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5960]
_cell_length_b [4.4558]
_cell_length_c [5.9173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr(CaPd)2]
_chemical_formula_sum '[Sr2 Ca4 Pd4]'
_cell_volume [296.9622]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1.0
  Ca  Ca1  4  0.1612  0.5000  0.6079  1.0
  Pd  Pd2  4  0.2135  0.5000  0.1234  1.0
]