# generated using pymatgen
data_Zr4BeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34302905
_cell_length_b   5.34302965
_cell_length_c   13.87721483
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000251
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4BeAs
_chemical_formula_sum   'Zr12 Be3 As3'
_cell_volume   343.08999374
_cell_formula_units_Z   3
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  0.17831917  0.35663934  0.00000000  1.0
  Zr  Zr1  1  0.82168083  0.64336066  0.00000000  1.0
  Zr  Zr2  1  0.50000100  0.00000000  0.10378494  1.0
  Zr  Zr3  1  0.50000100  0.50000100  0.22954806  1.0
  Zr  Zr4  1  0.82167983  0.17831917  0.33333300  1.0
  Zr  Zr5  1  0.17831917  0.82167983  0.33333300  1.0
  Zr  Zr6  1  0.50000100  0.50000100  0.43711794  1.0
  Zr  Zr7  1  0.00000000  0.50000100  0.56288206  1.0
  Zr  Zr8  1  0.35663934  0.17831917  0.66666700  1.0
  Zr  Zr9  1  0.64336166  0.82167983  0.66666700  1.0
  Zr  Zr10  1  0.00000000  0.50000100  0.77045194  1.0
  Zr  Zr11  1  0.50000100  0.00000000  0.89621506  1.0
  Be  Be12  1  0.00000000  0.50000100  0.16666700  1.0
  Be  Be13  1  0.50000100  0.00000000  0.50000000  1.0
  Be  Be14  1  0.50000100  0.50000100  0.83333300  1.0
  As  As15  1  0.00000000  0.00000000  0.16666700  1.0
  As  As16  1  0.00000000  0.00000000  0.50000000  1.0
  As  As17  1  0.00000000  0.00000000  0.83333300  1.0