# generated using pymatgen
data_LiSm2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83790953
_cell_length_b   8.83790953
_cell_length_c   7.94365365
_cell_angle_alpha   86.74997436
_cell_angle_beta   86.74997436
_cell_angle_gamma   45.96636044
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSm2Br5
_chemical_formula_sum   'Li2 Sm4 Br10'
_cell_volume   445.22758262
_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
  Li  Li0  1  0.50000000  0.00000000  0.50000000  1
  Li  Li1  1  0.00000000  0.50000000  0.00000000  1
  Sm  Sm2  1  0.73725500  0.11124100  0.07367200  1
  Sm  Sm3  1  0.26274500  0.88875900  0.92632800  1
  Sm  Sm4  1  0.88875900  0.26274500  0.42632800  1
  Sm  Sm5  1  0.11124100  0.73725500  0.57367200  1
  Br  Br6  1  0.87333400  0.12666600  0.75000000  1
  Br  Br7  1  0.12666600  0.87333400  0.25000000  1
  Br  Br8  1  0.73653900  0.84822700  0.83574900  1
  Br  Br9  1  0.26346100  0.15177300  0.16425100  1
  Br  Br10  1  0.15177300  0.26346100  0.66425100  1
  Br  Br11  1  0.84822700  0.73653900  0.33574900  1
  Br  Br12  1  0.49027700  0.68953400  0.59348300  1
  Br  Br13  1  0.50972300  0.31046600  0.40651700  1
  Br  Br14  1  0.31046600  0.50972300  0.90651700  1
  Br  Br15  1  0.68953400  0.49027700  0.09348300  1
