data_[Nd1Ag1Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1317]
_cell_length_b [4.2911]
_cell_length_c [7.3513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NdAgBr4]
_chemical_formula_sum '[Nd1 Ag1 Br4]'
_cell_volume [223.0254]
_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  0.0000  0.5000  0.5000  1.0
  Ag  Ag1  1  0.0000  0.0000  0.0000  1.0
  Br  Br2  2  0.2098  0.5000  0.1889  1.0
  Br  Br3  2  0.2462  0.0000  0.6678  1.0
]