# generated using pymatgen
data_Mn3Cr8CuS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.28640900
_cell_length_b   12.28640900
_cell_length_c   12.28640940
_cell_angle_alpha   33.70265186
_cell_angle_beta   33.70265186
_cell_angle_gamma   33.70265246
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Cr8CuS16
_chemical_formula_sum   'Mn3 Cr8 Cu1 S16'
_cell_volume   508.77363369
_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  0.56227200  0.56227200  0.56227200  1.0
  Mn  Mn1  1  0.43764400  0.43764400  0.43764400  1.0
  Mn  Mn2  1  0.93750500  0.93750500  0.93750500  1.0
  Cr  Cr3  1  0.74854300  0.74854300  0.74854300  1.0
  Cr  Cr4  1  0.25012800  0.25012800  0.25012800  1.0
  Cr  Cr5  1  0.99730400  0.50324600  0.50324600  1.0
  Cr  Cr6  1  0.49619000  0.00075600  0.00075600  1.0
  Cr  Cr7  1  0.50324600  0.99730400  0.50324600  1.0
  Cr  Cr8  1  0.00075600  0.49619000  0.00075600  1.0
  Cr  Cr9  1  0.50324600  0.50324600  0.99730400  1.0
  Cr  Cr10  1  0.00075600  0.00075600  0.49619000  1.0
  Cu  Cu11  1  0.06239300  0.06239300  0.06239300  1.0
  S  S12  1  0.12952800  0.12952800  0.12952800  1.0
  S  S13  1  0.62993400  0.62993400  0.62993400  1.0
  S  S14  1  0.39622700  0.86216000  0.86216000  1.0
  S  S15  1  0.90050700  0.35982700  0.35982700  1.0
  S  S16  1  0.86216000  0.39622700  0.86216000  1.0
  S  S17  1  0.35982700  0.90050700  0.35982700  1.0
  S  S18  1  0.86216000  0.86216000  0.39622700  1.0
  S  S19  1  0.35982700  0.35982700  0.90050700  1.0
  S  S20  1  0.37016800  0.37016800  0.37016800  1.0
  S  S21  1  0.86913900  0.86913900  0.86913900  1.0
  S  S22  1  0.09983000  0.63988300  0.63988300  1.0
  S  S23  1  0.59814000  0.14140300  0.14140300  1.0
  S  S24  1  0.63988300  0.09983000  0.63988300  1.0
  S  S25  1  0.14140300  0.59814000  0.14140300  1.0
  S  S26  1  0.63988300  0.63988300  0.09983000  1.0
  S  S27  1  0.14140300  0.14140300  0.59814000  1.0