# generated using pymatgen
data_NaSm6BeBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.23350554
_cell_length_b   9.23112101
_cell_length_c   9.23282126
_cell_angle_alpha   106.90186586
_cell_angle_beta   106.94069468
_cell_angle_gamma   106.91299089
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSm6BeBr12
_chemical_formula_sum   'Na1 Sm6 Be1 Br12'
_cell_volume   656.84336060
_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
  Na  Na0  1  0.50000000  0.50000000  0.50000000  1.0
  Sm  Sm1  1  0.11115253  0.32407087  0.03150254  1.0
  Sm  Sm2  1  0.32402559  0.03144642  0.11126487  1.0
  Sm  Sm3  1  0.03153155  0.11110897  0.32400262  1.0
  Sm  Sm4  1  0.96846945  0.88889103  0.67599838  1.0
  Sm  Sm5  1  0.67597441  0.96855458  0.88873513  1.0
  Sm  Sm6  1  0.88884747  0.67592913  0.96849746  1.0
  Be  Be7  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br8  1  0.22635718  0.68519644  0.07539204  1.0
  Br  Br9  1  0.45760594  0.37447009  0.15081714  1.0
  Br  Br10  1  0.68525234  0.07560303  0.22612017  1.0
  Br  Br11  1  0.92421124  0.77350989  0.31465378  1.0
  Br  Br12  1  0.15070068  0.45771454  0.37440504  1.0
  Br  Br13  1  0.37436749  0.15059482  0.45777074  1.0
  Br  Br14  1  0.62563251  0.84940518  0.54223026  1.0
  Br  Br15  1  0.84930032  0.54228546  0.62559496  1.0
  Br  Br16  1  0.07578976  0.22649011  0.68534722  1.0
  Br  Br17  1  0.31474866  0.92439797  0.77387983  1.0
  Br  Br18  1  0.54239406  0.62552991  0.84918386  1.0
  Br  Br19  1  0.77364282  0.31480356  0.92460796  1.0