# generated using pymatgen
data_Ca4Tc3B16Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54161724
_cell_length_b   5.99694091
_cell_length_c   11.59829591
_cell_angle_alpha   89.91279924
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Tc3B16Ru
_chemical_formula_sum   'Ca4 Tc3 B16 Ru1'
_cell_volume   246.33440607
_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  0.50000000  0.62804615  0.15164190  1.0
  Ca  Ca1  1  0.50000000  0.37373588  0.84877054  1.0
  Ca  Ca2  1  0.50000000  0.12707477  0.34964279  1.0
  Ca  Ca3  1  0.50000000  0.87263111  0.65071607  1.0
  Tc  Tc4  1  0.50000000  0.62749271  0.41814848  1.0
  Tc  Tc5  1  0.50000000  0.37238274  0.58289019  1.0
  Tc  Tc6  1  0.50000000  0.13137689  0.08263522  1.0
  B  B7  1  0.00000000  0.97560511  0.19152294  1.0
  B  B8  1  0.00000000  0.02369919  0.80833152  1.0
  B  B9  1  0.00000000  0.47626362  0.30787220  1.0
  B  B10  1  0.00000000  0.52412467  0.69256910  1.0
  B  B11  1  0.00000000  0.78372015  0.31596581  1.0
  B  B12  1  0.00000000  0.21559224  0.68461306  1.0
  B  B13  1  0.00000000  0.28366190  0.18412321  1.0
  B  B14  1  0.00000000  0.71749809  0.81596682  1.0
  B  B15  1  0.00000000  0.86454607  0.46808021  1.0
  B  B16  1  0.00000000  0.13492607  0.53238061  1.0
  B  B17  1  0.00000000  0.36401307  0.03098600  1.0
  B  B18  1  0.00000000  0.63687677  0.96777811  1.0
  B  B19  1  0.00000000  0.88562483  0.04619656  1.0
  B  B20  1  0.00000000  0.11133239  0.95176389  1.0
  B  B21  1  0.00000000  0.38543223  0.45303808  1.0
  B  B22  1  0.00000000  0.61347575  0.54745680  1.0
  Ru  Ru23  1  0.50000000  0.87086760  0.91690989  1.0