data_[Nd1Sm1Ge1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2693]
_cell_length_b [4.2693]
_cell_length_c [10.2455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NdSmGeBr2]
_chemical_formula_sum '[Nd1 Sm1 Ge1 Br2]'
_cell_volume [161.7249]
_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  0.6667  0.3333  0.3379  1
  Sm  Sm1  1  0.3333  0.6667  0.6631  1
  Ge  Ge2  1  0.0000  0.0000  0.5025  1
  Br  Br3  1  0.3333  0.6667  0.1619  1
  Br  Br4  1  0.6667  0.3333  0.8346  1
]