data_[Mg2As1H1Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5833]
_cell_length_b [5.7390]
_cell_length_c [5.8477]
_cell_angle_alpha [70.2756]
_cell_angle_beta [70.3014]
_cell_angle_gamma [63.1932]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg2AsHPd6]
_chemical_formula_sum '[Mg2 As1 H1 Pd6]'
_cell_volume [153.5664]
_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  2  0.2064  0.3029  0.2827  1.0
  As  As1  1  0.5000  0.5000  0.5000  1.0
  Pd  Pd2  2  0.1429  0.8516  0.3024  1.0
  Pd  Pd3  2  0.2721  0.6803  0.8686  1.0
  Pd  Pd4  2  0.2967  0.1812  0.8130  1.0
  H  H5  1  0.0000  0.0000  0.0000  1.0
]