data_MgRuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   4.74
_cell_angle_alpha   95.16
_cell_angle_beta   95.16
_cell_angle_gamma   28.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRuCl2
_chemical_formula_sum   'Mg1 Ru1 Cl2'
_cell_volume   93.43
_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  Mg2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.98  0.0  0.36  1.0
  Cl  Cl0  1  0.9  0.0  0.02  1.0
  Cl  Cl1  1  0.06  0.0  0.7  1.0

data_MgRuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.74
_cell_length_c   6.4
_cell_angle_alpha   95.16
_cell_angle_beta   104.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRuCl2
_chemical_formula_sum   'Mg1 Ru1 Cl2'
_cell_volume   93.43
_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  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.36  0.98  1.0
  Cl  Cl2  1  0.0  0.02  0.9  1.0
  Cl  Cl3  1  0.0  0.7  0.06  1.0

Mg Ru Cl Cl