data_[Mg4Cr4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.7258]
_cell_length_b [2.8886]
_cell_length_c [4.7184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgCrPd]
_chemical_formula_sum '[Mg4 Cr4 Pd4]'
_cell_volume [185.1145]
_cell_formula_units_Z [4]
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  0.3207  0.0000  0.9960  1
  Mg  Mg1  2  0.4645  0.0000  0.5725  1
  Cr  Cr2  2  0.1575  0.5000  0.1828  1
  Cr  Cr3  2  0.2711  0.5000  0.4628  1
  Pd  Pd4  2  0.1370  0.0000  0.6931  1
  Pd  Pd5  2  0.4904  0.5000  0.0937  1
]