data_[Mg6P10Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.7940]
_cell_length_b [12.4726]
_cell_length_c [8.9982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Mg3P5Ru6]
_chemical_formula_sum '[Mg6 P10 Ru12]'
_cell_volume [425.8037]
_cell_formula_units_Z [2]
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  4  0.0000  0.3502  0.7478  1
  Mg  Mg1  2  0.0000  0.0000  0.7395  1
  P  P2  4  0.0000  0.1212  0.4841  1
  P  P3  4  0.0000  0.3263  0.1466  1
  P  P4  2  0.0000  0.0000  0.1189  1
  Ru  Ru5  4  0.0000  0.1673  0.0007  1
  Ru  Ru6  4  0.0000  0.2960  0.3980  1
  Ru  Ru7  2  0.0000  0.5000  0.0258  1
  Ru  Ru8  2  0.0000  0.5000  0.5046  1
]