# generated using pymatgen
data_Cs3BAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08300551
_cell_length_b   7.08300615
_cell_length_c   10.14612867
_cell_angle_alpha   75.64900470
_cell_angle_beta   75.64900785
_cell_angle_gamma   89.08005728
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs3BAs2
_chemical_formula_sum   'Cs6 B2 As4'
_cell_volume   477.19026344
_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
  Cs  Cs0  1  0.25798573  0.15200359  0.01872376  1.0
  Cs  Cs1  1  0.34452784  0.65547216  0.75000000  1.0
  Cs  Cs2  1  0.74201427  0.84799641  0.98127624  1.0
  Cs  Cs3  1  0.65547216  0.34452784  0.25000000  1.0
  Cs  Cs4  1  0.15200359  0.25798573  0.51872376  1.0
  Cs  Cs5  1  0.84799641  0.74201427  0.48127624  1.0
  B  B6  1  0.71302237  0.28697763  0.75000000  1.0
  B  B7  1  0.28697763  0.71302237  0.25000000  1.0
  As  As8  1  0.40559312  0.83661286  0.35388940  1.0
  As  As9  1  0.83661286  0.40559312  0.85388940  1.0
  As  As10  1  0.16338714  0.59440688  0.14611060  1.0
  As  As11  1  0.59440688  0.16338714  0.64611060  1.0