# generated using pymatgen
data_Zr6FeCl15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98230290
_cell_length_b   8.98230290
_cell_length_c   8.98230290
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6FeCl15
_chemical_formula_sum   'Zr6 Fe1 Cl15'
_cell_volume   557.88052190
_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
  Zr  Zr0  1  0.76077700  0.76077700  0.00000000  1.0
  Zr  Zr1  1  0.23922300  0.00000000  0.23922300  1.0
  Zr  Zr2  1  0.00000000  0.23922300  0.23922300  1.0
  Zr  Zr3  1  0.23922300  0.23922300  0.00000000  1.0
  Zr  Zr4  1  0.76077700  0.00000000  0.76077700  1.0
  Zr  Zr5  1  0.00000000  0.76077700  0.76077700  1.0
  Fe  Fe6  1  0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl7  1  0.24724200  0.24724200  0.49448500  1.0
  Cl  Cl8  1  0.75275800  0.00000000  0.24724200  1.0
  Cl  Cl9  1  0.00000000  0.75275800  0.24724200  1.0
  Cl  Cl10  1  0.75275800  0.24724200  0.00000000  1.0
  Cl  Cl11  1  0.24724200  0.49448500  0.24724200  1.0
  Cl  Cl12  1  0.00000000  0.24724200  0.75275800  1.0
  Cl  Cl13  1  0.24724200  0.75275800  0.00000000  1.0
  Cl  Cl14  1  0.24724200  0.00000000  0.75275800  1.0
  Cl  Cl15  1  0.49448500  0.24724200  0.24724200  1.0
  Cl  Cl16  1  0.75275800  0.75275800  0.50551500  1.0
  Cl  Cl17  1  0.75275800  0.50551500  0.75275800  1.0
  Cl  Cl18  1  0.50551500  0.75275800  0.75275800  1.0
  Cl  Cl19  1  0.50000000  0.50000000  0.00000000  1.0
  Cl  Cl20  1  0.50000000  0.00000000  0.50000000  1.0
  Cl  Cl21  1  0.00000000  0.50000000  0.50000000  1.0