# generated using pymatgen
data_Mn28FeH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90139227
_cell_length_b   7.90139185
_cell_length_c   7.88296734
_cell_angle_alpha   70.60698324
_cell_angle_beta   70.60697958
_cell_angle_gamma   109.45056917
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn28FeH2
_chemical_formula_sum   'Mn28 Fe1 H2'
_cell_volume   379.68226508
_cell_formula_units_Z   1
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  0.82205618  0.63363003  0.36630309  1.0
  Mn  Mn1  1  0.63363003  0.82205618  0.36630309  1.0
  Mn  Mn2  1  0.63287129  0.63287129  0.17603871  1.0
  Mn  Mn3  1  0.18172017  0.81222903  0.18628872  1.0
  Mn  Mn4  1  0.36953941  0.00021016  0.81118611  1.0
  Mn  Mn5  1  0.37030665  0.19031787  0.99867858  1.0
  Mn  Mn6  1  0.00127955  0.18829879  0.62802385  1.0
  Mn  Mn7  1  0.18829879  0.00127955  0.62802385  1.0
  Mn  Mn8  1  0.81150857  0.81150857  0.81626682  1.0
  Mn  Mn9  1  0.00021016  0.36953941  0.81118611  1.0
  Mn  Mn10  1  0.81222903  0.18172017  0.18628872  1.0
  Mn  Mn11  1  0.19031787  0.37030665  0.99867858  1.0
  Mn  Mn12  1  0.29518812  0.61003358  0.38863803  1.0
  Mn  Mn13  1  0.61003358  0.29518812  0.38863803  1.0
  Mn  Mn14  1  0.60437866  0.60437866  0.71248961  1.0
  Mn  Mn15  1  0.70681868  0.31646937  0.68342898  1.0
  Mn  Mn16  1  0.39702217  0.00143681  0.31534829  1.0
  Mn  Mn17  1  0.39730304  0.68281957  0.99824492  1.0
  Mn  Mn18  1  0.00004988  0.68299249  0.60297790  1.0
  Mn  Mn19  1  0.68299249  0.00004988  0.60297790  1.0
  Mn  Mn20  1  0.31906260  0.31906260  0.28421227  1.0
  Mn  Mn21  1  0.00143681  0.39702217  0.31534829  1.0
  Mn  Mn22  1  0.31646937  0.70681868  0.68342898  1.0
  Mn  Mn23  1  0.68281957  0.39730304  0.99824492  1.0
  Mn  Mn24  1  0.35827618  0.35827618  0.64141296  1.0
  Mn  Mn25  1  0.64366028  0.00013736  0.99824602  1.0
  Mn  Mn26  1  0.00141629  0.00141629  0.35467081  1.0
  Mn  Mn27  1  0.00013736  0.64366028  0.99824602  1.0
  Fe  Fe28  1  0.99986128  0.99986128  0.99968521  1.0
  H  H29  1  0.00006476  0.43104218  0.56824784  1.0
  H  H30  1  0.43104218  0.00006476  0.56824784  1.0