data_[Mn1Pd1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4600]
_cell_length_b [3.6729]
_cell_length_c [6.3929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MnPdSe4]
_chemical_formula_sum '[Mn1 Pd1 Se4]'
_cell_volume [128.1952]
_cell_formula_units_Z [1]
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
[
  Mn  Mn0  1  0.0000  0.5000  0.5000  1.0
  Pd  Pd1  1  0.0000  0.0000  0.0000  1.0
  Se  Se2  2  0.2438  0.5000  0.8248  1.0
  Se  Se3  2  0.2466  0.0000  0.3428  1.0
]