# generated using pymatgen
data_Zr2Fe12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84360306
_cell_length_b   8.84360306
_cell_length_c   3.59627040
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Fe12P7
_chemical_formula_sum   'Zr2 Fe12 P7'
_cell_volume   243.57990274
_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
  Zr  Zr0  1  0.00000000  0.00000000  0.00000000  1
  Zr  Zr1  1  0.33333300  0.66666700  0.50000000  1
  Fe  Fe2  1  0.09648200  0.39471400  0.00000000  1
  Fe  Fe3  1  0.29823200  0.90351800  0.00000000  1
  Fe  Fe4  1  0.60528600  0.70176800  0.00000000  1
  Fe  Fe5  1  0.82234800  0.60907200  0.00000000  1
  Fe  Fe6  1  0.78672400  0.17765200  0.00000000  1
  Fe  Fe7  1  0.39092800  0.21327600  0.00000000  1
  Fe  Fe8  1  0.05120900  0.77001500  0.50000000  1
  Fe  Fe9  1  0.71880700  0.94879100  0.50000000  1
  Fe  Fe10  1  0.22998500  0.28119300  0.50000000  1
  Fe  Fe11  1  0.88276200  0.43022900  0.50000000  1
  Fe  Fe12  1  0.54746700  0.11723800  0.50000000  1
  Fe  Fe13  1  0.56977100  0.45253300  0.50000000  1
  P  P14  1  0.07973200  0.63210400  0.00000000  1
  P  P15  1  0.55237200  0.92026800  0.00000000  1
  P  P16  1  0.36789600  0.44762800  0.00000000  1
  P  P17  1  0.78071000  0.73705800  0.50000000  1
  P  P18  1  0.95634800  0.21929000  0.50000000  1
  P  P19  1  0.26294200  0.04365200  0.50000000  1
  P  P20  1  0.66666700  0.33333300  0.00000000  1
