[CIF]
data_BaAs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18719720
_cell_length_b   4.18719720
_cell_length_c   7.06210881
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.73964584
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAs2Se
_chemical_formula_sum   'Ba1 As2 Se1'
_cell_volume   123.80695625
_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
  As  As0  1  2.94162316  0.00000000  6.28250390  1
  As  As1  1  0.00000000  0.00000000  6.52323453  1
  Ba  Ba2  1  2.94162316  0.00000000  2.92133495  1
  Se  Se3  1  0.00000000  0.00000000  1.92819864  1
[/CIF]
