# generated using pymatgen
data_NdErCBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71139855
_cell_length_b   3.71140048
_cell_length_c   14.39564688
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001823
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdErCBr
_chemical_formula_sum   'Nd2 Er2 C2 Br2'
_cell_volume   171.72643335
_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  0.66666700  0.33333300  0.90818370  1.0
  Nd  Nd1  1  0.33333300  0.66666700  0.40818370  1.0
  Er  Er2  1  0.33333300  0.66666700  0.08993960  1.0
  Er  Er3  1  0.66666700  0.33333300  0.58993960  1.0
  C  C4  1  0.00000000  0.00000000  0.01036201  1.0
  C  C5  1  0.00000000  0.00000000  0.51036201  1.0
  Br  Br6  1  0.66666700  0.33333300  0.24151369  1.0
  Br  Br7  1  0.33333300  0.66666700  0.74151369  1.0