# generated using pymatgen
data_Mg3Zr2(ReTc)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36717749
_cell_length_b   8.36717775
_cell_length_c   8.35843091
_cell_angle_alpha   109.50484839
_cell_angle_beta   109.50484316
_cell_angle_gamma   109.44640076
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Zr2(ReTc)12
_chemical_formula_sum   'Mg3 Zr2 Re12 Tc12'
_cell_volume   450.22862530
_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
  Mg  Mg0  1  0.99507511  0.99507511  0.00000000  1.0
  Mg  Mg1  1  0.63877126  0.99989303  1.00000000  1.0
  Mg  Mg2  1  0.99989303  0.63877126  0.00000000  1.0
  Zr  Zr3  1  0.00133674  0.00133674  0.63580776  1.0
  Zr  Zr4  1  0.36552998  0.36552998  0.36419224  1.0
  Re  Re5  1  0.37977293  0.19396879  1.00000000  1.0
  Re  Re6  1  0.18813402  0.80719575  0.81001214  1.0
  Re  Re7  1  0.37812088  0.99718361  0.18998786  1.0
  Re  Re8  1  0.19396879  0.37977293  0.00000000  1.0
  Re  Re9  1  0.99718361  0.37812088  0.18998786  1.0
  Re  Re10  1  0.80719575  0.18813402  0.81001214  1.0
  Re  Re11  1  0.80929665  0.80929665  0.18489179  1.0
  Re  Re12  1  0.99698744  0.19292695  0.37498378  1.0
  Re  Re13  1  0.19292695  0.99698744  0.37498378  1.0
  Re  Re14  1  0.62440686  0.62440686  0.81510821  1.0
  Re  Re15  1  0.81794218  0.62200266  0.62501622  1.0
  Re  Re16  1  0.62200266  0.81794218  0.62501622  1.0
  Tc  Tc17  1  0.39755834  0.67616300  0.00000000  1.0
  Tc  Tc18  1  0.72188354  0.32245120  0.32596164  1.0
  Tc  Tc19  1  0.39592290  0.99648855  0.67403836  1.0
  Tc  Tc20  1  0.67616300  0.39755834  0.00000000  1.0
  Tc  Tc21  1  0.99648855  0.39592290  0.67403836  1.0
  Tc  Tc22  1  0.32245120  0.72188354  0.32596164  1.0
  Tc  Tc23  1  0.32340236  0.32340236  0.71981668  1.0
  Tc  Tc24  1  0.99643168  0.67565763  0.39508951  1.0
  Tc  Tc25  1  0.67565763  0.99643168  0.39508951  1.0
  Tc  Tc26  1  0.60358469  0.60358469  0.28018332  1.0
  Tc  Tc27  1  0.28056912  0.60134217  0.60491049  1.0
  Tc  Tc28  1  0.60134217  0.28056912  0.60491049  1.0