data_[Sr6Mg14Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0474]
_cell_length_b [4.4366]
_cell_length_c [10.7635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Mg7Pd4]
_chemical_formula_sum '[Sr6 Mg14 Pd8]'
_cell_volume [667.0619]
_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  0.1920  0.5000  0.2044  1
  Sr  Sr1  2  0.0000  0.0000  0.5000  1
  Mg  Mg2  4  0.0111  0.5000  0.7869  1
  Mg  Mg3  4  0.1686  0.0000  0.9261  1
  Mg  Mg4  4  0.1834  0.5000  0.5179  1
  Mg  Mg5  2  0.0000  0.0000  0.0000  1
  Pd  Pd6  4  0.1086  0.0000  0.3202  1
  Pd  Pd7  4  0.1657  0.5000  0.7736  1
]