data_[Sr4Mo4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mo  2.1600  1.4500  0.7750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.0754]
_cell_length_b [3.4901]
_cell_length_c [6.2169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrMoPd]
_chemical_formula_sum '[Sr4 Mo4 Pd4]'
_cell_volume [282.4280]
_cell_formula_units_Z [4]
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  0.1373  0.5000  0.3614  1
  Sr  Sr1  2  0.2770  0.0000  0.8750  1
  Mo  Mo2  2  0.3783  0.0000  0.3936  1
  Mo  Mo3  2  0.4571  0.5000  0.6220  1
  Pd  Pd4  2  0.0743  0.5000  0.8668  1
  Pd  Pd5  2  0.4590  0.5000  0.1084  1
]