# generated using pymatgen
data_Sm2BeNiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93721050
_cell_length_b   3.93720851
_cell_length_c   8.19433794
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000826
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2BeNiBr
_chemical_formula_sum   'Sm2 Be1 Ni1 Br1'
_cell_volume   110.00730251
_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
  Sm  Sm0  1  0.00000000  0.00000000  0.21584561  1.0
  Sm  Sm1  1  0.00000000  0.00000000  0.78415439  1.0
  Be  Be2  1  0.33333300  0.66666700  0.00000000  1.0
  Ni  Ni3  1  0.66666700  0.33333300  0.00000000  1.0
  Br  Br4  1  0.66666700  0.33333300  0.50000000  1.0