# generated using pymatgen
data_ThCrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56946600
_cell_length_b   6.92301987
_cell_length_c   7.64089899
_cell_angle_alpha   111.35313394
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCrO7
_chemical_formula_sum   'Th2 Cr2 O14'
_cell_volume   323.65690150
_cell_formula_units_Z   2
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  0.25000000  0.14101700  0.21321800  1.0
  Th  Th1  1  0.75000000  0.85898300  0.78678200  1.0
  Cr  Cr2  1  0.25000000  0.72837200  0.46660000  1.0
  Cr  Cr3  1  0.75000000  0.27162800  0.53340000  1.0
  O  O4  1  0.50181400  0.09607400  0.97766400  1.0
  O  O5  1  0.00181400  0.90392600  0.02233600  1.0
  O  O6  1  0.49818600  0.90392600  0.02233600  1.0
  O  O7  1  0.99818600  0.09607400  0.97766400  1.0
  O  O8  1  0.45585800  0.73914000  0.59555800  1.0
  O  O9  1  0.95585800  0.26086000  0.40444200  1.0
  O  O10  1  0.54414200  0.26086000  0.40444200  1.0
  O  O11  1  0.04414200  0.73914000  0.59555800  1.0
  O  O12  1  0.25000000  0.92781700  0.39411500  1.0
  O  O13  1  0.75000000  0.07218300  0.60588500  1.0
  O  O14  1  0.25000000  0.50625300  0.28189800  1.0
  O  O15  1  0.75000000  0.49374700  0.71810200  1.0
  O  O16  1  0.25000000  0.39598800  0.75445800  1.0
  O  O17  1  0.75000000  0.60401200  0.24554200  1.0