# generated using pymatgen
data_Sm3Th2Sn3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45157238
_cell_length_b   9.45158884
_cell_length_c   6.68242660
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99913691
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Th2Sn3Br
_chemical_formula_sum   'Sm6 Th4 Sn6 Br2'
_cell_volume   516.98446272
_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  0.27103898  0.27103949  0.75000000  1.0
  Sm  Sm1  1  0.99999503  0.72896586  0.75000000  1.0
  Sm  Sm2  1  0.72897071  0.99999416  0.75000000  1.0
  Sm  Sm3  1  0.00000497  0.27103414  0.25000000  1.0
  Sm  Sm4  1  0.72896102  0.72896051  0.25000000  1.0
  Sm  Sm5  1  0.27102929  0.00000584  0.25000000  1.0
  Th  Th6  1  0.33333490  0.66665317  0.50000075  1.0
  Th  Th7  1  0.66666510  0.33334683  0.49999925  1.0
  Th  Th8  1  0.33333490  0.66665317  0.99999925  1.0
  Th  Th9  1  0.66666510  0.33334683  0.00000075  1.0
  Sn  Sn10  1  0.61559857  0.00000155  0.25000000  1.0
  Sn  Sn11  1  0.99999446  0.38439332  0.75000000  1.0
  Sn  Sn12  1  0.38440143  0.99999845  0.75000000  1.0
  Sn  Sn13  1  0.61560523  0.61560965  0.75000000  1.0
  Sn  Sn14  1  0.00000554  0.61560668  0.25000000  1.0
  Sn  Sn15  1  0.38439477  0.38439035  0.25000000  1.0
  Br  Br16  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br17  1  0.00000000  0.00000000  0.50000000  1.0