# generated using pymatgen
data_CaTh3(CoB4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90470147
_cell_length_b   6.90470134
_cell_length_c   6.90470149
_cell_angle_alpha   112.49144803
_cell_angle_beta   112.49144320
_cell_angle_gamma   103.58625521
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTh3(CoB4)4
_chemical_formula_sum   'Ca1 Th3 Co4 B16'
_cell_volume   251.42661028
_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
  Ca  Ca0  1  0.78854655  0.78854655  0.00000000  1.0
  Th  Th1  1  0.75125404  0.25125404  0.50000000  1.0
  Th  Th2  1  0.25125404  0.75125404  0.50000000  1.0
  Th  Th3  1  0.20918260  0.20918260  1.00000000  1.0
  Co  Co4  1  0.49882931  0.27093340  0.77210408  1.0
  Co  Co5  1  0.49882931  0.72672623  0.22789592  1.0
  Co  Co6  1  0.72672623  0.49882931  0.22789592  1.0
  Co  Co7  1  0.27093340  0.49882931  0.77210408  1.0
  B  B8  1  0.41849965  0.41849965  0.53793480  1.0
  B  B9  1  0.88056485  0.88056485  0.46206520  1.0
  B  B10  1  0.58189220  0.12028492  0.00000000  1.0
  B  B11  1  0.12028492  0.58189220  1.00000000  1.0
  B  B12  1  0.58189220  0.58189220  0.46160628  1.0
  B  B13  1  0.12028492  0.12028492  0.53839372  1.0
  B  B14  1  0.88056485  0.41849965  0.00000000  1.0
  B  B15  1  0.41849965  0.88056485  1.00000000  1.0
  B  B16  1  0.11286565  0.27728810  0.38966493  1.0
  B  B17  1  0.88762517  0.72320172  0.61033507  1.0
  B  B18  1  0.88762517  0.27728810  0.16442245  1.0
  B  B19  1  0.11286565  0.72320172  0.83557755  1.0
  B  B20  1  0.72320172  0.88762517  0.61033507  1.0
  B  B21  1  0.27728810  0.11286565  0.38966493  1.0
  B  B22  1  0.72320172  0.11286565  0.83557755  1.0
  B  B23  1  0.27728810  0.88762517  0.16442245  1.0