# generated using pymatgen
data_Zr6FeBr15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32843834
_cell_length_b   9.32843946
_cell_length_c   9.32843897
_cell_angle_alpha   109.47121750
_cell_angle_beta   109.47121993
_cell_angle_gamma   109.47122185
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6FeBr15
_chemical_formula_sum   'Zr6 Fe1 Br15'
_cell_volume   624.89210941
_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  0.23095182  0.00000000  0.23095182  1.0
  Zr  Zr1  1  0.23095182  0.23095182  1.00000000  1.0
  Zr  Zr2  1  0.76904818  1.00000000  0.76904818  1.0
  Zr  Zr3  1  1.00000000  0.23095182  0.23095182  1.0
  Zr  Zr4  1  0.00000000  0.76904818  0.76904818  1.0
  Zr  Zr5  1  0.76904818  0.76904818  0.00000000  1.0
  Fe  Fe6  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br7  1  0.00000000  0.75134564  0.24865436  1.0
  Br  Br8  1  0.24865436  0.75134564  0.00000000  1.0
  Br  Br9  1  0.50269127  0.75134564  0.75134564  1.0
  Br  Br10  1  1.00000000  0.24865436  0.75134564  1.0
  Br  Br11  1  0.75134564  1.00000000  0.24865436  1.0
  Br  Br12  1  0.24865436  0.49730873  0.24865436  1.0
  Br  Br13  1  0.75134564  0.24865436  1.00000000  1.0
  Br  Br14  1  0.50000000  0.50000000  0.00000000  1.0
  Br  Br15  1  0.24865436  0.24865436  0.49730873  1.0
  Br  Br16  1  0.75134564  0.50269127  0.75134564  1.0
  Br  Br17  1  0.75134564  0.75134564  0.50269127  1.0
  Br  Br18  1  0.49730873  0.24865436  0.24865436  1.0
  Br  Br19  1  0.24865436  0.00000000  0.75134564  1.0
  Br  Br20  1  0.00000000  0.50000000  0.50000000  1.0
  Br  Br21  1  0.50000000  0.00000000  0.50000000  1.0