# generated using pymatgen
data_ZrNiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49592857
_cell_length_b   3.90166930
_cell_length_c   7.33734127
_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   185.96465824
_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  0.48717600  0.18873400  1
  Zr  Zr1  1  0.75000000  0.51282400  0.81126600  1
  Zr  Zr2  1  0.75000000  0.01282400  0.68873400  1
  Zr  Zr3  1  0.25000000  0.98717600  0.31126600  1
  Ni  Ni4  1  0.25000000  0.83435300  0.92524200  1
  Ni  Ni5  1  0.75000000  0.16564700  0.07475800  1
  Ni  Ni6  1  0.75000000  0.66564700  0.42524200  1
  Ni  Ni7  1  0.25000000  0.33435300  0.57475800  1
  As  As8  1  0.25000000  0.71696700  0.60445000  1
  As  As9  1  0.75000000  0.28303300  0.39555000  1
  As  As10  1  0.75000000  0.78303300  0.10445000  1
  As  As11  1  0.25000000  0.21696700  0.89555000  1
