data_[Nd2Y2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5047]
_cell_length_b [4.0541]
_cell_length_c [13.6845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdYBr5]
_chemical_formula_sum '[Nd2 Y2 Br10]'
_cell_volume [470.5136]
_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  0.1017  0.2500  0.1524  1
  Y  Y1  2  0.4166  0.7500  0.3449  1
  Br  Br2  2  0.0685  0.7500  0.3112  1
  Br  Br3  2  0.1374  0.2500  0.9280  1
  Br  Br4  2  0.3226  0.2500  0.4821  1
  Br  Br5  2  0.3536  0.7500  0.1293  1
  Br  Br6  2  0.3705  0.7500  0.7087  1
]