# generated using pymatgen
data_ZrFeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49078438
_cell_length_b   3.93079864
_cell_length_c   7.26774451
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeAs
_chemical_formula_sum   'Zr4 Fe4 As4'
_cell_volume   185.42898933
_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  0.48674800  0.18869500  1
  Zr  Zr1  1  0.75000000  0.51325200  0.81130500  1
  Zr  Zr2  1  0.75000000  0.01325200  0.68869500  1
  Zr  Zr3  1  0.25000000  0.98674800  0.31130500  1
  Fe  Fe4  1  0.25000000  0.85334300  0.93766900  1
  Fe  Fe5  1  0.75000000  0.14665700  0.06233100  1
  Fe  Fe6  1  0.75000000  0.64665700  0.43766900  1
  Fe  Fe7  1  0.25000000  0.35334300  0.56233100  1
  As  As8  1  0.25000000  0.72153600  0.61394700  1
  As  As9  1  0.75000000  0.27846400  0.38605300  1
  As  As10  1  0.75000000  0.77846400  0.11394700  1
  As  As11  1  0.25000000  0.22153600  0.88605300  1
