data_[Mg8Ni4As8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.6371]
_cell_length_b [12.1820]
_cell_length_c [5.8528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Mg2NiAs2Ru]
_chemical_formula_sum '[Mg8 Ni4 As8 Ru4]'
_cell_volume [401.9199]
_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  8  0.2479  0.3424  0.0000  1.0
  Ni  Ni1  4  0.0000  0.5000  0.2500  1.0
  As  As2  8  0.2433  0.6188  0.0000  1.0
  Ru  Ru3  4  0.0000  0.0000  0.2500  1.0
]