# generated using pymatgen
data_Fe(Mo3Se4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83679455
_cell_length_b   9.61508880
_cell_length_c   9.72286623
_cell_angle_alpha   90.32472215
_cell_angle_beta   91.16136988
_cell_angle_gamma   95.83071425
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(Mo3Se4)2
_chemical_formula_sum   'Fe2 Mo12 Se16'
_cell_volume   635.68960562
_cell_formula_units_Z   2
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  0.11698100  0.77337800  0.26174000  1
  Fe  Fe1  1  0.88301900  0.22662200  0.73826000  1
  Mo  Mo2  1  0.45712800  0.67392600  0.09352400  1
  Mo  Mo3  1  0.76423200  0.51956400  0.07133400  1
  Mo  Mo4  1  0.41749600  0.39098700  0.15630300  1
  Mo  Mo5  1  0.58236800  0.10757800  0.34556900  1
  Mo  Mo6  1  0.46817900  0.17503000  0.59725100  1
  Mo  Mo7  1  0.23328500  0.98464700  0.43242900  1
  Mo  Mo8  1  0.76671500  0.01535300  0.56757100  1
  Mo  Mo9  1  0.53182100  0.82497000  0.40274900  1
  Mo  Mo10  1  0.41763200  0.89242200  0.65443100  1
  Mo  Mo11  1  0.58250400  0.60901300  0.84369700  1
  Mo  Mo12  1  0.23576800  0.48043600  0.92866600  1
  Mo  Mo13  1  0.54287200  0.32607400  0.90647600  1
  Se  Se14  1  0.79301100  0.77924000  0.01018600  1
  Se  Se15  1  0.12632600  0.53632200  0.17941500  1
  Se  Se16  1  0.62699700  0.57139600  0.30923800  1
  Se  Se17  1  0.72716600  0.25714300  0.12791400  1
  Se  Se18  1  0.27723800  0.24565100  0.37971800  1
  Se  Se19  1  0.37974200  0.93567800  0.17876800  1
  Se  Se20  1  0.79782500  0.28518100  0.50190700  1
  Se  Se21  1  0.86616600  0.94522700  0.31883500  1
  Se  Se22  1  0.13383400  0.05477300  0.68116500  1
  Se  Se23  1  0.20217500  0.71481900  0.49809300  1
  Se  Se24  1  0.62025800  0.06432200  0.82123200  1
  Se  Se25  1  0.72276200  0.75434900  0.62028200  1
  Se  Se26  1  0.27283400  0.74285700  0.87208600  1
  Se  Se27  1  0.37300300  0.42860400  0.69076200  1
  Se  Se28  1  0.87367400  0.46367800  0.82058500  1
  Se  Se29  1  0.20698900  0.22076000  0.98981400  1
