# generated using pymatgen
data_ZrFeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91088860
_cell_length_b   6.52111700
_cell_length_c   7.34505246
_cell_angle_alpha   90.00350993
_cell_angle_beta   90.00028704
_cell_angle_gamma   89.99972454
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeAs
_chemical_formula_sum   'Zr4 Fe4 As4'
_cell_volume   187.32353261
_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  0.24999647  0.48598478  0.18982347  1.0
  Zr  Zr1  1  0.75001335  0.51402427  0.81018055  1.0
  Zr  Zr2  1  0.75001461  0.01400472  0.68981794  1.0
  Zr  Zr3  1  0.24999211  0.98598838  0.31015211  1.0
  Fe  Fe4  1  0.24999732  0.85066389  0.93300221  1.0
  Fe  Fe5  1  0.74999484  0.14933385  0.06701472  1.0
  Fe  Fe6  1  0.75001930  0.64935488  0.43298690  1.0
  Fe  Fe7  1  0.24999757  0.35067293  0.56696714  1.0
  As  As8  1  0.24999057  0.72516562  0.61147331  1.0
  As  As9  1  0.74999346  0.27479680  0.38859750  1.0
  As  As10  1  0.74999342  0.77480432  0.11142804  1.0
  As  As11  1  0.24999697  0.22520556  0.88855613  1.0