# generated using pymatgen
data_Zr3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47091489
_cell_length_b   11.02181551
_cell_length_c   11.02181551
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3As
_chemical_formula_sum   'Zr24 As8'
_cell_volume   664.60902311
_cell_formula_units_Z   8
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  0.28696415  0.83324707  0.14466304  1.0
  Zr  Zr1  1  0.28696415  0.66675293  0.35533696  1.0
  Zr  Zr2  1  0.78696415  0.64466304  0.16675293  1.0
  Zr  Zr3  1  0.78696415  0.85533696  0.33324707  1.0
  Zr  Zr4  1  0.71303585  0.16675293  0.85533696  1.0
  Zr  Zr5  1  0.71303585  0.33324707  0.64466304  1.0
  Zr  Zr6  1  0.21303585  0.35533696  0.83324707  1.0
  Zr  Zr7  1  0.21303585  0.14466304  0.66675293  1.0
  Zr  Zr8  1  0.96669019  0.27653118  0.11083842  1.0
  Zr  Zr9  1  0.96669019  0.22346882  0.38916158  1.0
  Zr  Zr10  1  0.46669019  0.61083842  0.72346882  1.0
  Zr  Zr11  1  0.46669019  0.88916158  0.77653118  1.0
  Zr  Zr12  1  0.03330981  0.72346882  0.88916158  1.0
  Zr  Zr13  1  0.03330981  0.77653118  0.61083842  1.0
  Zr  Zr14  1  0.53330981  0.38916158  0.27653118  1.0
  Zr  Zr15  1  0.53330981  0.11083842  0.22346882  1.0
  Zr  Zr16  1  0.23889468  0.43114280  0.53462474  1.0
  Zr  Zr17  1  0.23889468  0.06885720  0.96537526  1.0
  Zr  Zr18  1  0.73889468  0.03462474  0.56885720  1.0
  Zr  Zr19  1  0.73889468  0.46537526  0.93114280  1.0
  Zr  Zr20  1  0.76110532  0.56885720  0.46537526  1.0
  Zr  Zr21  1  0.76110532  0.93114280  0.03462474  1.0
  Zr  Zr22  1  0.26110532  0.96537526  0.43114280  1.0
  Zr  Zr23  1  0.26110532  0.53462474  0.06885720  1.0
  As  As24  1  0.46163713  0.29037083  0.04421819  1.0
  As  As25  1  0.46163713  0.20962917  0.45578181  1.0
  As  As26  1  0.96163713  0.54421819  0.70962917  1.0
  As  As27  1  0.96163713  0.95578181  0.79037083  1.0
  As  As28  1  0.53836287  0.70962917  0.95578181  1.0
  As  As29  1  0.53836287  0.79037083  0.54421819  1.0
  As  As30  1  0.03836287  0.45578181  0.29037083  1.0
  As  As31  1  0.03836287  0.04421819  0.20962917  1.0