data_[Nd12P2Os4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  P  2.1900  1.0000  0.5500
  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 [7.1939]
_cell_length_b [12.4591]
_cell_length_c [7.7289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6POs2Cl3]
_chemical_formula_sum '[Nd12 P2 Os4 Cl6]'
_cell_volume [658.7722]
_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  0.2404  0.1721  0.2071  1.0
  Nd  Nd1  4  0.2242  0.5000  0.2069  1.0
  P  P2  2  0.0000  0.0000  0.0000  1.0
  Os  Os3  4  0.0000  0.3329  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1623  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]