# generated using pymatgen
data_Ba2Ca3Tl2(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82044802
_cell_length_b   3.82044778
_cell_length_c   21.95347421
_cell_angle_alpha   94.99174836
_cell_angle_beta   94.99174873
_cell_angle_gamma   89.99999811
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ca3Tl2(NiO3)4
_chemical_formula_sum   'Ba2 Ca3 Tl2 Ni4 O12'
_cell_volume   317.99373961
_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
  Ba  Ba0  1  0.15667500  0.15667500  0.31334900  1.0
  Ba  Ba1  1  0.84332500  0.84332500  0.68665100  1.0
  Ca  Ca2  1  0.07429700  0.07429700  0.14859400  1.0
  Ca  Ca3  1  0.92570300  0.92570300  0.85140600  1.0
  Ca  Ca4  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl5  1  0.72340000  0.72340000  0.44680000  1.0
  Tl  Tl6  1  0.27660000  0.27660000  0.55320000  1.0
  Ni  Ni7  1  0.53727000  0.53727000  0.07454000  1.0
  Ni  Ni8  1  0.39015700  0.39015700  0.78031500  1.0
  Ni  Ni9  1  0.60984300  0.60984300  0.21968500  1.0
  Ni  Ni10  1  0.46273000  0.46273000  0.92546000  1.0
  O  O11  1  0.38990000  0.88990000  0.77980000  1.0
  O  O12  1  0.53709300  0.03709300  0.07418600  1.0
  O  O13  1  0.22846800  0.22846800  0.45693700  1.0
  O  O14  1  0.96290700  0.46290700  0.92581400  1.0
  O  O15  1  0.77153200  0.77153200  0.54306300  1.0
  O  O16  1  0.11010000  0.61010000  0.22020000  1.0
  O  O17  1  0.61010000  0.11010000  0.22020000  1.0
  O  O18  1  0.32357300  0.32357300  0.64714600  1.0
  O  O19  1  0.88990000  0.38990000  0.77980000  1.0
  O  O20  1  0.03709300  0.53709300  0.07418600  1.0
  O  O21  1  0.46290700  0.96290700  0.92581400  1.0
  O  O22  1  0.67642700  0.67642700  0.35285400  1.0