# generated using pymatgen
data_Ca(CoB)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89584985
_cell_length_b   6.89584985
_cell_length_c   3.78183134
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(CoB)4
_chemical_formula_sum   'Ca2 Co8 B8'
_cell_volume   179.83646184
_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  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co2  1  0.86501595  0.38032886  0.11074665  1.0
  Co  Co3  1  0.13498405  0.61967114  0.11074665  1.0
  Co  Co4  1  0.88032886  0.63498405  0.61074665  1.0
  Co  Co5  1  0.11967114  0.36501595  0.61074665  1.0
  Co  Co6  1  0.63498405  0.11967114  0.38925335  1.0
  Co  Co7  1  0.36501595  0.88032886  0.38925335  1.0
  Co  Co8  1  0.61967114  0.86501595  0.88925335  1.0
  Co  Co9  1  0.38032886  0.13498405  0.88925335  1.0
  B  B10  1  0.33537489  0.80477344  0.89355605  1.0
  B  B11  1  0.66462511  0.19522656  0.89355605  1.0
  B  B12  1  0.30477344  0.16462511  0.39355605  1.0
  B  B13  1  0.69522656  0.83537489  0.39355605  1.0
  B  B14  1  0.16462511  0.69522656  0.60644395  1.0
  B  B15  1  0.83537489  0.30477344  0.60644395  1.0
  B  B16  1  0.19522656  0.33537489  0.10644395  1.0
  B  B17  1  0.80477344  0.66462511  0.10644395  1.0