# generated using pymatgen
data_Mn2CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22129480
_cell_length_b   3.22129480
_cell_length_c   18.26296545
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CuN2
_chemical_formula_sum   'Mn6 Cu3 N6'
_cell_volume   164.12051545
_cell_formula_units_Z   3
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  0.66666700  0.33333300  0.04679700  1
  Mn  Mn1  1  0.00000000  0.00000000  0.28653600  1
  Mn  Mn2  1  0.33333300  0.66666700  0.38013000  1
  Mn  Mn3  1  0.66666700  0.33333300  0.61987000  1
  Mn  Mn4  1  0.00000000  0.00000000  0.71346400  1
  Mn  Mn5  1  0.33333300  0.66666700  0.95320300  1
  Cu  Cu6  1  0.33333300  0.66666700  0.16666700  1
  Cu  Cu7  1  0.00000000  0.00000000  0.50000000  1
  Cu  Cu8  1  0.66666700  0.33333300  0.83333300  1
  N  N9  1  0.33333300  0.66666700  0.27075400  1
  N  N10  1  0.33333300  0.66666700  0.06257900  1
  N  N11  1  0.00000000  0.00000000  0.60408700  1
  N  N12  1  0.00000000  0.00000000  0.39591300  1
  N  N13  1  0.66666700  0.33333300  0.93742100  1
  N  N14  1  0.66666700  0.33333300  0.72924600  1
