data_[Nd2Tm2Br10]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [16.8550]
_cell_length_b [3.8249]
_cell_length_c [20.2671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NdTmBr5]
_chemical_formula_sum '[Nd2 Tm2 Br10]'
_cell_volume [1306.6067]
_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
[
  Nd  Nd0  2  0.2500  0.0000  0.0224  1
  Tm  Tm1  2  0.0000  0.5000  0.0000  1
  Br  Br2  4  0.0635  0.0000  0.0858  1
  Br  Br3  4  0.1468  0.5000  0.9357  1
  Br  Br4  2  0.2500  0.5000  0.1299  1
]