data_[Nd12Te10Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8130]
_cell_length_b [13.4094]
_cell_length_c [7.7474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Te5Br]
_chemical_formula_sum '[Nd12 Te10 Br2]'
_cell_volume [768.6674]
_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  0.2301  0.3247  0.7324  1
  Nd  Nd1  4  0.2209  0.5000  0.2393  1
  Te  Te2  4  0.0000  0.1523  0.5000  1
  Te  Te3  4  0.0000  0.3248  0.0000  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  Br  Br5  2  0.0000  0.0000  0.0000  1
]