data_[Nd12Ni2Os4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Os  2.2000  1.3000  0.6730
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0246]
_cell_length_b [12.1670]
_cell_length_c [7.9750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6NiOs2Cl3]
_chemical_formula_sum '[Nd12 Ni2 Os4 Cl6]'
_cell_volume [651.5828]
_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
[
  Nd  Nd0  8  0.2367  0.1680  0.2060  1
  Nd  Nd1  4  0.2325  0.5000  0.2058  1
  Ni  Ni2  2  0.0000  0.0000  0.0000  1
  Os  Os3  4  0.0000  0.3335  0.0000  1
  Cl  Cl4  4  0.0000  0.1694  0.5000  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]