# generated using pymatgen
data_K4Zr6CBr18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.41163200
_cell_length_b   10.55862764
_cell_length_c   10.65754653
_cell_angle_alpha   118.50040687
_cell_angle_beta   100.01584499
_cell_angle_gamma   103.94940285
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4Zr6CBr18
_chemical_formula_sum   'K4 Zr6 C1 Br18'
_cell_volume   940.17075959
_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
  K  K0  1  0.18613300  0.16018300  0.56395000  1.0
  K  K1  1  0.84746100  0.18873300  0.77291300  1.0
  K  K2  1  0.15253900  0.81126700  0.22708700  1.0
  K  K3  1  0.81386700  0.83981700  0.43605000  1.0
  Zr  Zr4  1  0.35308800  0.67050900  0.77423700  1.0
  Zr  Zr5  1  0.36397400  0.49338300  0.13040400  1.0
  Zr  Zr6  1  0.64267600  0.69007700  0.04447900  1.0
  Zr  Zr7  1  0.64691200  0.32949100  0.22576300  1.0
  Zr  Zr8  1  0.35732400  0.30992300  0.95552100  1.0
  Zr  Zr9  1  0.63602600  0.50661700  0.86959600  1.0
  C  C10  1  0.50000000  0.50000000  0.00000000  1.0
  Br  Br11  1  0.82213900  0.31195800  0.11059800  1.0
  Br  Br12  1  0.51414100  0.29505200  0.41062700  1.0
  Br  Br13  1  0.17688300  0.07557500  0.89922900  1.0
  Br  Br14  1  0.17786100  0.68804200  0.88940200  1.0
  Br  Br15  1  0.83043500  0.52255400  0.31284000  1.0
  Br  Br16  1  0.50339100  0.08451700  0.21021300  1.0
  Br  Br17  1  0.79916200  0.51302100  0.71018400  1.0
  Br  Br18  1  0.16956500  0.47744600  0.68716000  1.0
  Br  Br19  1  0.50750200  0.71346600  0.19831400  1.0
  Br  Br20  1  0.81898100  0.72613400  0.90251800  1.0
  Br  Br21  1  0.20083800  0.48697900  0.28981600  1.0
  Br  Br22  1  0.16608300  0.88257300  0.49584400  1.0
  Br  Br23  1  0.49660900  0.91548300  0.78978700  1.0
  Br  Br24  1  0.82311700  0.92442500  0.10077100  1.0
  Br  Br25  1  0.48585900  0.70494800  0.58937300  1.0
  Br  Br26  1  0.18101900  0.27386600  0.09748200  1.0
  Br  Br27  1  0.83391700  0.11742700  0.50415600  1.0
  Br  Br28  1  0.49249800  0.28653400  0.80168600  1.0