data_[Nd4Ge1As2Br1]
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
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4149]
_cell_length_b [4.2855]
_cell_length_c [7.4309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4GeAs2Br]
_chemical_formula_sum '[Nd4 Ge1 As2 Br1]'
_cell_volume [223.1990]
_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  0.2552  0.5000  0.2430  1.0
  Nd  Nd1  2  0.2664  0.0000  0.7692  1.0
  Ge  Ge2  1  0.0000  0.0000  0.0000  1.0
  As  As3  1  0.5000  0.0000  0.5000  1.0
  As  As4  1  0.5000  0.5000  0.0000  1.0
  Br  Br5  1  0.0000  0.5000  0.5000  1.0
]