# generated using pymatgen
data_ThMn4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49381701
_cell_length_b   6.49381701
_cell_length_c   6.49381701
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThMn4(CuO4)3
_chemical_formula_sum   'Th1 Mn4 Cu3 O12'
_cell_volume   210.80370955
_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
  Th  Th0  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn1  1  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn2  1  0.50000000  0.00000000  0.00000000  1.0
  Mn  Mn3  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn4  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu5  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu6  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu7  1  0.50000000  0.00000000  0.50000000  1.0
  O  O8  1  0.52895800  0.69978600  0.82917200  1.0
  O  O9  1  0.12938600  0.30021400  0.82917200  1.0
  O  O10  1  0.69978600  0.82917200  0.52895800  1.0
  O  O11  1  0.30021400  0.17082800  0.47104200  1.0
  O  O12  1  0.87061400  0.69978600  0.17082800  1.0
  O  O13  1  0.47104200  0.30021400  0.17082800  1.0
  O  O14  1  0.69978600  0.17082800  0.87061400  1.0
  O  O15  1  0.82917200  0.12938600  0.30021400  1.0
  O  O16  1  0.82917200  0.52895800  0.69978600  1.0
  O  O17  1  0.17082800  0.87061400  0.69978600  1.0
  O  O18  1  0.17082800  0.47104200  0.30021400  1.0
  O  O19  1  0.30021400  0.82917200  0.12938600  1.0