# generated using pymatgen
data_Nd2Re2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17267068
_cell_length_b   4.17267055
_cell_length_c   17.63458778
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998530
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Re2Br
_chemical_formula_sum   'Nd4 Re4 Br2'
_cell_volume   265.90359893
_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  1  0.00000000  0.00000000  0.12044621  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.37955379  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.62044621  1.0
  Nd  Nd3  1  0.00000000  0.00000000  0.87955479  1.0
  Re  Re4  1  0.66666600  0.33333200  0.01364272  1.0
  Re  Re5  1  0.33333400  0.66666700  0.98635728  1.0
  Re  Re6  1  0.66666600  0.33333200  0.48635728  1.0
  Re  Re7  1  0.33333400  0.66666700  0.51364272  1.0
  Br  Br8  1  0.33333400  0.66666700  0.25000000  1.0
  Br  Br9  1  0.66666600  0.33333200  0.75000000  1.0