data_[Mg2Pd2Pt4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.1017]
_cell_length_b [12.5135]
_cell_length_c [3.8876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [MgPd(PtSe3)2]
_chemical_formula_sum '[Mg2 Pd2 Pt4 Se12]'
_cell_volume [442.7756]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0000  1
  Pd  Pd1  2  0.0000  0.5000  0.0000  1
  Pt  Pt2  4  0.2500  0.2500  0.5000  1
  Se  Se3  8  0.2093  0.3765  0.0000  1
  Se  Se4  4  0.0000  0.1569  0.5000  1
]