# generated using pymatgen
data_MnFeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38788786
_cell_length_b   6.38780440
_cell_length_c   3.32936887
_cell_angle_alpha   90.00000230
_cell_angle_beta   89.99999806
_cell_angle_gamma   119.99793458
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeAs
_chemical_formula_sum   'Mn3 Fe3 As3'
_cell_volume   117.65502413
_cell_formula_units_Z   3
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
  Mn  Mn0  1  0.60167169  0.00000201  0.50000001  1.0
  Mn  Mn1  1  0.39832734  0.39834385  0.50000003  1.0
  Mn  Mn2  1  -0.00001419  0.60163095  0.50000003  1.0
  Fe  Fe3  1  0.26057647  -0.00002868  0.00000004  1.0
  Fe  Fe4  1  0.73944817  0.73944222  -0.00000008  1.0
  Fe  Fe5  1  -0.00002216  0.26058382  -0.00000004  1.0
  As  As6  1  0.33338469  0.66664850  -0.00000009  1.0
  As  As7  1  0.66658237  0.33333075  0.00000015  1.0
  As  As8  1  0.00004662  0.00004658  0.49999995  1.0