# generated using pymatgen
data_CaB3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93908055
_cell_length_b   3.09193217
_cell_length_c   5.49727391
_cell_angle_alpha   90.00000000
_cell_angle_beta   103.12847252
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaB3W
_chemical_formula_sum   'Ca2 B6 W2'
_cell_volume   114.86222520
_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
  Ca  Ca0  1  0.70515006  0.75000100  0.16791924  1.0
  Ca  Ca1  1  0.29485321  0.25000100  0.83208024  1.0
  B  B2  1  0.98999050  0.25000100  0.08290812  1.0
  B  B3  1  0.99024404  0.25000100  0.41118714  1.0
  B  B4  1  0.46688891  0.25000100  0.43110290  1.0
  B  B5  1  0.53311239  0.75000100  0.56889606  1.0
  B  B6  1  0.00975279  0.75000100  0.58881240  1.0
  B  B7  1  0.01000902  0.75000100  0.91709235  1.0
  W  W8  1  0.21595950  0.75000100  0.31605413  1.0
  W  W9  1  0.78404157  0.25000100  0.68394542  1.0