data_[Nd4Ge1Ru1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4978]
_cell_length_b [4.1678]
_cell_length_c [7.9297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4GeRuBr2]
_chemical_formula_sum '[Nd4 Ge1 Ru1 Br2]'
_cell_volume [236.7580]
_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  2  0.2568  0.5000  0.1964  1.0
  Nd  Nd1  2  0.2732  0.0000  0.7981  1.0
  Ge  Ge2  1  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  1  0.5000  0.5000  0.0000  1.0
  Br  Br4  1  0.0000  0.5000  0.5000  1.0
  Br  Br5  1  0.5000  0.0000  0.5000  1.0
]