data_[Mg4Ga3Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2671]
_cell_length_b [4.4553]
_cell_length_c [10.3546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Mg4Ga3Pd]
_chemical_formula_sum '[Mg4 Ga3 Pd1]'
_cell_volume [150.7170]
_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
[
  Mg  Mg0  1  0.0000  0.0000  0.1563  1.0
  Mg  Mg1  1  0.0000  0.5000  0.8498  1.0
  Mg  Mg2  1  0.5000  0.0000  0.6635  1.0
  Mg  Mg3  1  0.5000  0.5000  0.3295  1.0
  Ga  Ga4  1  0.0000  0.0000  0.4281  1.0
  Ga  Ga5  1  0.0000  0.5000  0.5746  1.0
  Ga  Ga6  1  0.5000  0.0000  0.9312  1.0
  Pd  Pd7  1  0.5000  0.5000  0.0671  1.0
]