data_[Nd2Th2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Th  1.3000  1.8000  1.0800
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4579]
_cell_length_b [4.5618]
_cell_length_c [7.3540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdThOs]
_chemical_formula_sum '[Nd2 Th2 Os2]'
_cell_volume [175.9617]
_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  2  0.2407  0.7500  0.4372  1
  Th  Th1  2  0.2353  0.7500  0.9440  1
  Os  Os2  2  0.3094  0.2500  0.2011  1
]