data_[Nd2Br5Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.9093]
_cell_length_b [4.3574]
_cell_length_c [7.9685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Nd2Br5Cl]
_chemical_formula_sum '[Nd2 Br5 Cl1]'
_cell_volume [240.2461]
_cell_formula_units_Z [1]
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  1  0.3390  0.0000  0.6710  1
  Nd  Nd1  1  0.6682  0.5000  0.3413  1
  Br  Br2  1  0.0848  0.5000  0.7065  1
  Br  Br3  1  0.2993  0.5000  0.3886  1
  Br  Br4  1  0.3888  0.0000  0.0882  1
  Br  Br5  1  0.6210  0.5000  0.9097  1
  Br  Br6  1  0.9147  0.0000  0.3027  1
  Cl  Cl7  1  0.6842  0.0000  0.5920  1
]