data_[Nd6Te2P2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9159]
_cell_length_b [4.1975]
_cell_length_c [10.4073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3TePBr]
_chemical_formula_sum '[Nd6 Te2 P2 Br2]'
_cell_volume [389.2064]
_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  0.1489  0.7500  0.8690  1
  Nd  Nd1  2  0.3591  0.2500  0.5909  1
  Nd  Nd2  2  0.3977  0.2500  0.1377  1
  Te  Te3  2  0.1272  0.7500  0.1733  1
  P  P4  2  0.3743  0.2500  0.8618  1
  Br  Br5  2  0.1278  0.7500  0.5804  1
]