# generated using pymatgen
data_Ba2Co4BrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98256149
_cell_length_b   5.98256149
_cell_length_c   16.15899804
_cell_angle_alpha   79.41570416
_cell_angle_beta   79.41570416
_cell_angle_gamma   60.21789371
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Co4BrO7
_chemical_formula_sum   'Ba4 Co8 Br2 O14'
_cell_volume   490.51381870
_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
  Ba  Ba0  1  0.43233900  0.43393400  0.70301100  1.0
  Ba  Ba1  1  0.56606600  0.56766100  0.29698900  1.0
  Ba  Ba2  1  0.28053600  0.28850300  0.14247800  1.0
  Ba  Ba3  1  0.71149700  0.71946400  0.85752200  1.0
  Co  Co4  1  0.00003900  0.49990400  0.49994500  1.0
  Co  Co5  1  0.99985900  0.00014100  0.50000000  1.0
  Co  Co6  1  0.50009600  0.99996100  0.50005500  1.0
  Co  Co7  1  0.10394800  0.10556700  0.69479600  1.0
  Co  Co8  1  0.89443300  0.89605200  0.30520400  1.0
  Co  Co9  1  0.78478600  0.78518400  0.65268000  1.0
  Co  Co10  1  0.21481600  0.21521400  0.34732000  1.0
  Co  Co11  1  0.49998800  0.50001200  0.50000000  1.0
  Br  Br12  1  0.60023500  0.66117200  0.08118500  1.0
  Br  Br13  1  0.33882800  0.39976500  0.91881500  1.0
  O  O14  1  0.43273400  0.91613600  0.72971200  1.0
  O  O15  1  0.91413300  0.43359000  0.73031200  1.0
  O  O16  1  0.91582200  0.91821400  0.73126300  1.0
  O  O17  1  0.56641000  0.08586700  0.26968800  1.0
  O  O18  1  0.08386400  0.56726600  0.27028800  1.0
  O  O19  1  0.08178600  0.08417800  0.26873700  1.0
  O  O20  1  0.85594300  0.85609900  0.42834900  1.0
  O  O21  1  0.14390100  0.14405700  0.57165100  1.0
  O  O22  1  0.12761300  0.65051000  0.57095500  1.0
  O  O23  1  0.65054100  0.12772600  0.57083600  1.0
  O  O24  1  0.65075700  0.65073400  0.56970200  1.0
  O  O25  1  0.87227400  0.34945900  0.42916400  1.0
  O  O26  1  0.34949000  0.87238700  0.42904500  1.0
  O  O27  1  0.34926600  0.34924300  0.43029800  1.0