# generated using pymatgen
data_Ca6NpReO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62125554
_cell_length_b   6.62125508
_cell_length_c   6.62125642
_cell_angle_alpha   92.35353535
_cell_angle_beta   92.35353567
_cell_angle_gamma   92.35353107
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6NpReO12
_chemical_formula_sum   'Ca6 Np1 Re1 O12'
_cell_volume   289.52727873
_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  0.93093124  0.43574347  0.73985239  1.0
  Ca  Ca1  1  0.73985239  0.93093124  0.43574347  1.0
  Ca  Ca2  1  0.56425653  0.26014761  0.06906876  1.0
  Ca  Ca3  1  0.43574347  0.73985239  0.93093124  1.0
  Ca  Ca4  1  0.26014761  0.06906876  0.56425653  1.0
  Ca  Ca5  1  0.06906876  0.56425653  0.26014761  1.0
  Np  Np6  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re7  1  0.50000000  0.50000000  0.50000000  1.0
  O  O8  1  0.92851420  0.29570037  0.06625969  1.0
  O  O9  1  0.93374031  0.07148580  0.70429963  1.0
  O  O10  1  0.77925029  0.57894930  0.45408273  1.0
  O  O11  1  0.70429963  0.93374031  0.07148580  1.0
  O  O12  1  0.57894930  0.45408273  0.77925029  1.0
  O  O13  1  0.54591727  0.22074971  0.42105070  1.0
  O  O14  1  0.45408273  0.77925029  0.57894930  1.0
  O  O15  1  0.42105070  0.54591727  0.22074971  1.0
  O  O16  1  0.29570037  0.06625969  0.92851420  1.0
  O  O17  1  0.22074971  0.42105070  0.54591727  1.0
  O  O18  1  0.06625969  0.92851420  0.29570037  1.0
  O  O19  1  0.07148580  0.70429963  0.93374031  1.0