data_[Mg1Ru1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.4789]
_cell_length_b [4.0103]
_cell_length_c [5.1811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MgRuCl2]
_chemical_formula_sum '[Mg1 Ru1 Cl2]'
_cell_volume [72.2833]
_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  0.5000  0.5000  0.5000  1
  Ru  Ru1  1  0.0000  0.5000  0.0000  1
  Cl  Cl2  2  0.2104  0.0000  0.2370  1
]