data_[Sr3Mg1As2Pd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.7009]
_cell_length_b [6.7009]
_cell_length_c [8.6495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr3MgAs2Pd9]
_chemical_formula_sum '[Sr3 Mg1 As2 Pd9]'
_cell_volume [336.3463]
_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
[
  Sr  Sr0  2  0.3333  0.6667  0.6995  1
  Sr  Sr1  1  0.0000  0.0000  0.0000  1
  Mg  Mg2  1  0.0000  0.0000  0.5000  1
  As  As3  2  0.3333  0.6667  0.1711  1
  Pd  Pd4  6  0.1949  0.3898  0.3893  1
  Pd  Pd5  3  0.0000  0.5000  0.0000  1
]