# generated using pymatgen
data_Mn(CuSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.42404548
_cell_length_b   11.42404548
_cell_length_c   11.42404548
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(CuSe)2
_chemical_formula_sum   'Mn16 Cu32 Se32'
_cell_volume   1490.93863958
_cell_formula_units_Z   16
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  0.62886800  0.87113200  0.37113200  1
  Mn  Mn1  1  0.87113200  0.62886800  0.37113200  1
  Mn  Mn2  1  0.87113200  0.87113200  0.12886800  1
  Mn  Mn3  1  0.62886800  0.62886800  0.12886800  1
  Mn  Mn4  1  0.62886800  0.37113200  0.87113200  1
  Mn  Mn5  1  0.87113200  0.12886800  0.87113200  1
  Mn  Mn6  1  0.87113200  0.37113200  0.62886800  1
  Mn  Mn7  1  0.62886800  0.12886800  0.62886800  1
  Mn  Mn8  1  0.12886800  0.87113200  0.87113200  1
  Mn  Mn9  1  0.37113200  0.62886800  0.87113200  1
  Mn  Mn10  1  0.37113200  0.87113200  0.62886800  1
  Mn  Mn11  1  0.12886800  0.62886800  0.62886800  1
  Mn  Mn12  1  0.12886800  0.37113200  0.37113200  1
  Mn  Mn13  1  0.37113200  0.12886800  0.37113200  1
  Mn  Mn14  1  0.37113200  0.37113200  0.12886800  1
  Mn  Mn15  1  0.12886800  0.12886800  0.12886800  1
  Cu  Cu16  1  0.00000000  0.00000000  0.25706000  1
  Cu  Cu17  1  0.00000000  0.50000000  0.24294000  1
  Cu  Cu18  1  0.00000000  0.75706000  0.50000000  1
  Cu  Cu19  1  0.00000000  0.24294000  0.50000000  1
  Cu  Cu20  1  0.75706000  0.00000000  0.50000000  1
  Cu  Cu21  1  0.24294000  0.00000000  0.50000000  1
  Cu  Cu22  1  0.25000000  0.75000000  0.25000000  1
  Cu  Cu23  1  0.00000000  0.00000000  0.50000000  1
  Cu  Cu24  1  0.00000000  0.50000000  0.75706000  1
  Cu  Cu25  1  0.00000000  0.00000000  0.74294000  1
  Cu  Cu26  1  0.00000000  0.25706000  0.00000000  1
  Cu  Cu27  1  0.00000000  0.74294000  0.00000000  1
  Cu  Cu28  1  0.75706000  0.50000000  0.00000000  1
  Cu  Cu29  1  0.24294000  0.50000000  0.00000000  1
  Cu  Cu30  1  0.25000000  0.25000000  0.75000000  1
  Cu  Cu31  1  0.00000000  0.50000000  0.00000000  1
  Cu  Cu32  1  0.50000000  0.00000000  0.75706000  1
  Cu  Cu33  1  0.50000000  0.50000000  0.74294000  1
  Cu  Cu34  1  0.50000000  0.75706000  0.00000000  1
  Cu  Cu35  1  0.50000000  0.24294000  0.00000000  1
  Cu  Cu36  1  0.25706000  0.00000000  0.00000000  1
  Cu  Cu37  1  0.74294000  0.00000000  0.00000000  1
  Cu  Cu38  1  0.75000000  0.75000000  0.75000000  1
  Cu  Cu39  1  0.50000000  0.00000000  0.00000000  1
  Cu  Cu40  1  0.50000000  0.50000000  0.25706000  1
  Cu  Cu41  1  0.50000000  0.00000000  0.24294000  1
  Cu  Cu42  1  0.50000000  0.25706000  0.50000000  1
  Cu  Cu43  1  0.50000000  0.74294000  0.50000000  1
  Cu  Cu44  1  0.25706000  0.50000000  0.50000000  1
  Cu  Cu45  1  0.74294000  0.50000000  0.50000000  1
  Cu  Cu46  1  0.75000000  0.25000000  0.25000000  1
  Cu  Cu47  1  0.50000000  0.50000000  0.50000000  1
  Se  Se48  1  0.37408700  0.62591300  0.12591300  1
  Se  Se49  1  0.12591300  0.87408700  0.12591300  1
  Se  Se50  1  0.12591300  0.62591300  0.37408700  1
  Se  Se51  1  0.37408700  0.87408700  0.37408700  1
  Se  Se52  1  0.86951200  0.63048800  0.13048800  1
  Se  Se53  1  0.13048800  0.36951200  0.13048800  1
  Se  Se54  1  0.13048800  0.13048800  0.36951200  1
  Se  Se55  1  0.86951200  0.86951200  0.36951200  1
  Se  Se56  1  0.37408700  0.12591300  0.62591300  1
  Se  Se57  1  0.12591300  0.37408700  0.62591300  1
  Se  Se58  1  0.12591300  0.12591300  0.87408700  1
  Se  Se59  1  0.37408700  0.37408700  0.87408700  1
  Se  Se60  1  0.86951200  0.13048800  0.63048800  1
  Se  Se61  1  0.13048800  0.86951200  0.63048800  1
  Se  Se62  1  0.13048800  0.63048800  0.86951200  1
  Se  Se63  1  0.86951200  0.36951200  0.86951200  1
  Se  Se64  1  0.87408700  0.62591300  0.62591300  1
  Se  Se65  1  0.62591300  0.87408700  0.62591300  1
  Se  Se66  1  0.62591300  0.62591300  0.87408700  1
  Se  Se67  1  0.87408700  0.87408700  0.87408700  1
  Se  Se68  1  0.36951200  0.63048800  0.63048800  1
  Se  Se69  1  0.63048800  0.36951200  0.63048800  1
  Se  Se70  1  0.63048800  0.13048800  0.86951200  1
  Se  Se71  1  0.36951200  0.86951200  0.86951200  1
  Se  Se72  1  0.87408700  0.12591300  0.12591300  1
  Se  Se73  1  0.62591300  0.37408700  0.12591300  1
  Se  Se74  1  0.62591300  0.12591300  0.37408700  1
  Se  Se75  1  0.87408700  0.37408700  0.37408700  1
  Se  Se76  1  0.36951200  0.13048800  0.13048800  1
  Se  Se77  1  0.63048800  0.86951200  0.13048800  1
  Se  Se78  1  0.63048800  0.63048800  0.36951200  1
  Se  Se79  1  0.36951200  0.36951200  0.36951200  1
