# generated using pymatgen
data_Ba2Mg3Tl2(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73507836
_cell_length_b   3.73507807
_cell_length_c   21.10244816
_cell_angle_alpha   95.07723794
_cell_angle_beta   95.07723851
_cell_angle_gamma   89.99999544
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Mg3Tl2(NiO3)4
_chemical_formula_sum   'Ba2 Mg3 Tl2 Ni4 O12'
_cell_volume   292.08141782
_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  0.15237800  0.15237800  0.30475400  1.0
  Ba  Ba1  1  0.84762200  0.84762200  0.69524600  1.0
  Mg  Mg2  1  0.07180200  0.07180200  0.14360500  1.0
  Mg  Mg3  1  0.92819800  0.92819800  0.85639500  1.0
  Mg  Mg4  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl5  1  0.72194700  0.72194700  0.44389400  1.0
  Tl  Tl6  1  0.27805300  0.27805300  0.55610600  1.0
  Ni  Ni7  1  0.53531500  0.53531500  0.07063000  1.0
  Ni  Ni8  1  0.39678000  0.39678000  0.79355900  1.0
  Ni  Ni9  1  0.60322100  0.60322100  0.20644100  1.0
  Ni  Ni10  1  0.46468500  0.46468500  0.92937000  1.0
  O  O11  1  0.39777600  0.89777600  0.79555200  1.0
  O  O12  1  0.53368200  0.03368200  0.06736400  1.0
  O  O13  1  0.22701700  0.22701700  0.45403500  1.0
  O  O14  1  0.96631800  0.46631800  0.93263600  1.0
  O  O15  1  0.77298300  0.77298300  0.54596500  1.0
  O  O16  1  0.10222400  0.60222400  0.20444800  1.0
  O  O17  1  0.60222400  0.10222400  0.20444800  1.0
  O  O18  1  0.32735600  0.32735600  0.65471300  1.0
  O  O19  1  0.89777600  0.39777600  0.79555200  1.0
  O  O20  1  0.03368200  0.53368200  0.06736400  1.0
  O  O21  1  0.46631800  0.96631800  0.93263600  1.0
  O  O22  1  0.67264400  0.67264400  0.34528700  1.0