# generated using pymatgen
data_FePSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73688187
_cell_length_b   5.71437628
_cell_length_c   5.80583593
_cell_angle_alpha   90.00000000
_cell_angle_beta   112.68718044
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePSe
_chemical_formula_sum   'Fe4 P4 Se4'
_cell_volume   175.60401492
_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
  Fe  Fe0  1  0.73585900  0.99090400  0.71217500  1
  Fe  Fe1  1  0.26414100  0.49090400  0.78782500  1
  Fe  Fe2  1  0.26414100  0.00909600  0.28782500  1
  Fe  Fe3  1  0.73585900  0.50909600  0.21217500  1
  P  P4  1  0.85857500  0.63457600  0.61826300  1
  P  P5  1  0.14142500  0.13457600  0.88173700  1
  P  P6  1  0.14142500  0.36542400  0.38173700  1
  P  P7  1  0.85857500  0.86542400  0.11826300  1
  Se  Se8  1  0.66169500  0.37125500  0.81504600  1
  Se  Se9  1  0.33830500  0.87125500  0.68495400  1
  Se  Se10  1  0.33830500  0.62874500  0.18495400  1
  Se  Se11  1  0.66169500  0.12874500  0.31504600  1
