data_[Sr6Ca2Pd2]
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 [P2_1/m]
_cell_length_a [6.7839]
_cell_length_b [7.8068]
_cell_length_c [8.0271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr3CaPd]
_chemical_formula_sum '[Sr6 Ca2 Pd2]'
_cell_volume [418.6483]
_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  4  0.0306  0.0070  0.7591  1.0
  Sr  Sr1  2  0.4872  0.2500  0.3970  1.0
  Ca  Ca2  2  0.4335  0.7500  0.0870  1.0
  Pd  Pd3  2  0.2027  0.2500  0.0536  1.0
]