# generated using pymatgen
data_Sc2SeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87190134
_cell_length_b   3.87190157
_cell_length_c   9.71563653
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999808
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SeBr2
_chemical_formula_sum   'Sc2 Se1 Br2'
_cell_volume   126.13932135
_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
  Sc  Sc0  1  0.66666700  0.33333300  0.64908668  1.0
  Sc  Sc1  1  0.33333300  0.66666700  0.35091332  1.0
  Se  Se2  1  0.00000000  0.00000000  0.50000000  1.0
  Br  Br3  1  0.66666700  0.33333300  0.17786137  1.0
  Br  Br4  1  0.33333300  0.66666700  0.82213863  1.0