data_[Nd1Tm1P1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.0472]
_cell_length_b [4.0472]
_cell_length_c [10.6617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NdTmPBr2]
_chemical_formula_sum '[Nd1 Tm1 P1 Br2]'
_cell_volume [151.2381]
_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  0.0000  0.8556  1
  Tm  Tm1  1  0.6667  0.3333  0.1457  1
  P  P2  1  0.3333  0.6667  0.0120  1
  Br  Br3  1  0.0000  0.0000  0.3114  1
  Br  Br4  1  0.6667  0.3333  0.6753  1
]