# generated using pymatgen
data_MnCuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18493106
_cell_length_b   6.24267281
_cell_length_c   6.25733015
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.43197996
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCuSe4
_chemical_formula_sum   'Mn2 Cu2 Se8'
_cell_volume   241.59178512
_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
  Mn  Mn0  1  0.00000000  0.50000000  0.50000000  1
  Mn  Mn1  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu2  1  0.50000000  0.50000000  0.00000000  1
  Cu  Cu3  1  0.50000000  0.00000000  0.50000000  1
  Se  Se4  1  0.11454800  0.88683900  0.61076500  1
  Se  Se5  1  0.88545200  0.38683900  0.88923500  1
  Se  Se6  1  0.38733900  0.11017600  0.11244700  1
  Se  Se7  1  0.61266100  0.61017600  0.38755300  1
  Se  Se8  1  0.88545200  0.11316100  0.38923500  1
  Se  Se9  1  0.11454800  0.61316100  0.11076500  1
  Se  Se10  1  0.61266100  0.88982400  0.88755300  1
  Se  Se11  1  0.38733900  0.38982400  0.61244700  1
