# generated using pymatgen
data_Zr6BeSN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89080146
_cell_length_b   5.89080345
_cell_length_c   8.46561096
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.82808803
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6BeSN2
_chemical_formula_sum   'Zr6 Be1 S1 N2'
_cell_volume   160.73704169
_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  0.93685968  0.06314032  0.75000000  1.0
  Zr  Zr1  1  0.06859805  0.93140195  0.25000000  1.0
  Zr  Zr2  1  0.62863634  0.37136366  0.55892480  1.0
  Zr  Zr3  1  0.36783560  0.63216440  0.43861770  1.0
  Zr  Zr4  1  0.36783560  0.63216440  0.06138230  1.0
  Zr  Zr5  1  0.62863634  0.37136366  0.94107520  1.0
  Be  Be6  1  0.25798828  0.74201172  0.75000000  1.0
  S  S7  1  0.74541221  0.25458779  0.25000000  1.0
  N  N8  1  0.99909845  0.00090155  0.49756980  1.0
  N  N9  1  0.99909845  0.00090155  0.00243020  1.0