data_[Sr2Nd2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nd  1.1400  1.8500  1.2765
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4958]
_cell_length_b [4.4085]
_cell_length_c [14.1245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrNdBr5]
_chemical_formula_sum '[Sr2 Nd2 Br10]'
_cell_volume [528.3326]
_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
[
  Sr  Sr0  2  0.0851  0.2500  0.1412  1
  Nd  Nd1  2  0.4227  0.7500  0.3503  1
  Br  Br2  2  0.0807  0.7500  0.3177  1
  Br  Br3  2  0.1438  0.2500  0.9264  1
  Br  Br4  2  0.3211  0.2500  0.4819  1
  Br  Br5  2  0.3602  0.7500  0.1429  1
  Br  Br6  2  0.3746  0.7500  0.7018  1
]