data_[Mn1Ag1Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.8623]
_cell_length_b [3.8992]
_cell_length_c [8.5242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [MnAgPd4]
_chemical_formula_sum '[Mn1 Ag1 Pd4]'
_cell_volume [95.1353]
_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  0.5000  0.0000  0.0000  1.0
  Ag  Ag1  1  0.0000  0.5000  0.5000  1.0
  Pd  Pd2  2  0.0000  0.5000  0.1598  1.0
  Pd  Pd3  2  0.5000  0.0000  0.3253  1.0
]