data_[Rb1Nd1Mg2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0184]
_cell_length_b [7.0531]
_cell_length_c [9.7595]
_cell_angle_alpha [76.2107]
_cell_angle_beta [77.7415]
_cell_angle_gamma [76.6413]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbNdMg2Br8]
_chemical_formula_sum '[Rb1 Nd1 Mg2 Br8]'
_cell_volume [450.1312]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.5000  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.4612  0.4496  0.7079  1.0
  Br  Br3  2  0.1815  0.7172  0.2332  1.0
  Br  Br4  2  0.2406  0.7793  0.7847  1.0
  Br  Br5  2  0.2960  0.2429  0.9498  1.0
  Br  Br6  2  0.3662  0.3043  0.5209  1.0
]