# generated using pymatgen
data_Sc2Pa(Co3B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68364074
_cell_length_b   5.68363998
_cell_length_c   5.68364022
_cell_angle_alpha   94.44227343
_cell_angle_beta   94.44226733
_cell_angle_gamma   94.44228658
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Pa(Co3B2)3
_chemical_formula_sum   'Sc2 Pa1 Co9 B6'
_cell_volume   181.85716466
_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
  Sc  Sc0  1  0.66542616  0.66542616  0.66542616  1.0
  Sc  Sc1  1  0.33457384  0.33457384  0.33457384  1.0
  Pa  Pa2  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co3  1  0.00000000  0.00000000  0.50000000  1.0
  Co  Co4  1  0.50000000  0.00000000  0.00000000  1.0
  Co  Co5  1  0.00000000  0.50000000  0.00000000  1.0
  Co  Co6  1  0.69263886  0.19596522  0.69263886  1.0
  Co  Co7  1  0.69263886  0.69263886  0.19596522  1.0
  Co  Co8  1  0.19596522  0.69263886  0.69263886  1.0
  Co  Co9  1  0.30736114  0.80403478  0.30736114  1.0
  Co  Co10  1  0.30736114  0.30736114  0.80403478  1.0
  Co  Co11  1  0.80403478  0.30736114  0.30736114  1.0
  B  B12  1  0.62263980  0.37736020  1.00000000  1.0
  B  B13  1  0.00000000  0.62263980  0.37736020  1.0
  B  B14  1  0.37736020  1.00000000  0.62263980  1.0
  B  B15  1  1.00000000  0.37736020  0.62263980  1.0
  B  B16  1  0.62263980  0.00000000  0.37736020  1.0
  B  B17  1  0.37736020  0.62263980  0.00000000  1.0