data_[Nd4Hg1Os1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7532]
_cell_length_b [4.1139]
_cell_length_c [8.3688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4HgOsBr2]
_chemical_formula_sum '[Nd4 Hg1 Os1 Br2]'
_cell_volume [250.8537]
_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  0.2687  0.0000  0.8013  1.0
  Nd  Nd1  2  0.2921  0.5000  0.2063  1.0
  Hg  Hg2  1  0.0000  0.0000  0.0000  1.0
  Os  Os3  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
]