data_[Nd10Tc2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tc  1.9000  1.3500  0.7417
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0503]
_cell_length_b [5.9910]
_cell_length_c [8.9775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5TcBr5]
_chemical_formula_sum '[Nd10 Tc2 Br10]'
_cell_volume [662.6485]
_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  4  0.1450  0.0000  0.2881  1
  Nd  Nd1  4  0.1697  0.0000  0.8690  1
  Nd  Nd2  2  0.0000  0.5000  0.0000  1
  Tc  Tc3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.1427  0.5000  0.7803  1
  Br  Br5  4  0.1704  0.5000  0.3580  1
  Br  Br6  2  0.0000  0.0000  0.5000  1
]