# generated using pymatgen
data_Sm2BeNiI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01767976
_cell_length_b   4.01768020
_cell_length_c   17.00227451
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999631
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2BeNiI
_chemical_formula_sum   'Sm4 Be2 Ni2 I2'
_cell_volume   237.67765476
_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
  Sm  Sm0  1  0.00000000  0.00000000  0.60230446  1.0
  Sm  Sm1  1  0.00000000  0.00000000  0.39830077  1.0
  Sm  Sm2  1  0.00000000  0.00000000  0.10230446  1.0
  Sm  Sm3  1  0.00000000  0.00000000  0.89830077  1.0
  Be  Be4  1  0.66666700  0.33333300  0.50112244  1.0
  Be  Be5  1  0.33333300  0.66666700  0.00112244  1.0
  Ni  Ni6  1  0.66666700  0.33333300  0.99882815  1.0
  Ni  Ni7  1  0.33333300  0.66666700  0.49882815  1.0
  I  I8  1  0.66666700  0.33333300  0.24944419  1.0
  I  I9  1  0.33333300  0.66666700  0.74944419  1.0