# generated using pymatgen
data_Na3TlPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21440600
_cell_length_b   5.33310400
_cell_length_c   9.46301894
_cell_angle_alpha   89.69175958
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3TlPCO7
_chemical_formula_sum   'Na6 Tl2 P2 C2 O14'
_cell_volume   364.08606458
_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
  Na  Na0  1  0.25000000  0.75920900  0.91734300  1.0
  Na  Na1  1  0.00231000  0.24061600  0.74514600  1.0
  Na  Na2  1  0.49769000  0.24061600  0.74514600  1.0
  Na  Na3  1  0.50231000  0.75938400  0.25485400  1.0
  Na  Na4  1  0.99769000  0.75938400  0.25485400  1.0
  Na  Na5  1  0.75000000  0.24079100  0.08265700  1.0
  Tl  Tl6  1  0.75000000  0.76057600  0.62925500  1.0
  Tl  Tl7  1  0.25000000  0.23942400  0.37074500  1.0
  P  P8  1  0.25000000  0.70334300  0.59855200  1.0
  P  P9  1  0.75000000  0.29665700  0.40144800  1.0
  C  C10  1  0.75000000  0.73515900  0.94910900  1.0
  C  C11  1  0.25000000  0.26484100  0.05089100  1.0
  O  O12  1  0.25000000  0.28364700  0.91382000  1.0
  O  O13  1  0.75000000  0.95599800  0.88888600  1.0
  O  O14  1  0.75000000  0.53001700  0.87320800  1.0
  O  O15  1  0.07977100  0.81097300  0.68144300  1.0
  O  O16  1  0.42022900  0.81097300  0.68144300  1.0
  O  O17  1  0.25000000  0.41207300  0.60986500  1.0
  O  O18  1  0.75000000  0.22392500  0.56149600  1.0
  O  O19  1  0.25000000  0.77607500  0.43850400  1.0
  O  O20  1  0.75000000  0.58792700  0.39013500  1.0
  O  O21  1  0.57977100  0.18902700  0.31855700  1.0
  O  O22  1  0.92022900  0.18902700  0.31855700  1.0
  O  O23  1  0.25000000  0.46998300  0.12679200  1.0
  O  O24  1  0.25000000  0.04400200  0.11111400  1.0
  O  O25  1  0.75000000  0.71635300  0.08618000  1.0