[CIF]
data_BaSeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11588011
_cell_length_b   5.11588011
_cell_length_c   5.67062194
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSeBr
_chemical_formula_sum   'Ba1 Se1 Br1'
_cell_volume   128.52927033
_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
  Ba  Ba0  1  2.55794008  1.47682736  5.60401033  1
  Br  Br1  1  0.00000003  2.95365474  1.49468629  1
  Se  Se2  1  0.00000000  0.00000000  4.24254725  1
[/CIF]
