# generated using pymatgen
data_ZrNiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87754837
_cell_length_b   6.50261482
_cell_length_c   7.28609464
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNiAs
_chemical_formula_sum   'Zr4 Ni4 As4'
_cell_volume   183.71307294
_cell_formula_units_Z   4
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  0.25000000  0.48802871  0.18812084  1.0
  Zr  Zr1  1  0.75000000  0.51197129  0.81187916  1.0
  Zr  Zr2  1  0.75000000  0.01197129  0.68812084  1.0
  Zr  Zr3  1  0.25000000  0.98802871  0.31187916  1.0
  Ni  Ni4  1  0.25000000  0.83440082  0.92528514  1.0
  Ni  Ni5  1  0.75000000  0.16559918  0.07471486  1.0
  Ni  Ni6  1  0.75000000  0.66559918  0.42528514  1.0
  Ni  Ni7  1  0.25000000  0.33440082  0.57471486  1.0
  As  As8  1  0.25000000  0.71627445  0.60446057  1.0
  As  As9  1  0.75000000  0.28372555  0.39553943  1.0
  As  As10  1  0.75000000  0.78372555  0.10446057  1.0
  As  As11  1  0.25000000  0.21627445  0.89553943  1.0