# generated using pymatgen
data_Nd2BeNiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99978643
_cell_length_b   3.99978722
_cell_length_c   16.61849833
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000168
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2BeNiBr
_chemical_formula_sum   'Nd4 Be2 Ni2 Br2'
_cell_volume   230.24812031
_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  0.60720609  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.39349276  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.10720609  1.0
  Nd  Nd3  1  0.00000000  0.00000000  0.89349276  1.0
  Be  Be4  1  0.66666700  0.33333300  0.50087824  1.0
  Be  Be5  1  0.33333300  0.66666700  0.00087824  1.0
  Ni  Ni6  1  0.66666700  0.33333300  0.99909918  1.0
  Ni  Ni7  1  0.33333300  0.66666700  0.49909918  1.0
  Br  Br8  1  0.66666700  0.33333300  0.24932372  1.0
  Br  Br9  1  0.33333300  0.66666700  0.74932372  1.0