data_[Ce4Mn2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.9619]
_cell_length_b [6.1780]
_cell_length_c [8.1259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ce2MnPd2]
_chemical_formula_sum '[Ce4 Mn2 Pd4]'
_cell_volume [198.8927]
_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
[
  Ce  Ce0  2  0.5000  0.0346  0.4051  1
  Ce  Ce1  2  0.5000  0.4950  0.1075  1
  Mn  Mn2  2  0.0000  0.3186  0.4996  1
  Pd  Pd3  2  0.0000  0.0953  0.1551  1
  Pd  Pd4  2  0.0000  0.3063  0.8330  1
]