# generated using pymatgen
data_Mn2CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85241444
_cell_length_b   12.15026627
_cell_length_c   2.85054643
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CuN2
_chemical_formula_sum   'Mn4 Cu2 N4'
_cell_volume   98.79308358
_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  0.25785400  0.00000000  0.66371500  1
  Mn  Mn1  1  0.25785400  0.00000000  0.33628500  1
  Mn  Mn2  1  0.74214600  0.50000000  0.83628500  1
  Mn  Mn3  1  0.74214600  0.50000000  0.16371500  1
  Cu  Cu4  1  0.21836300  0.00000000  0.00000000  1
  Cu  Cu5  1  0.78163700  0.50000000  0.50000000  1
  N  N6  1  0.24166900  0.00000000  0.16124200  1
  N  N7  1  0.24166900  0.00000000  0.83875800  1
  N  N8  1  0.75833100  0.50000000  0.33875800  1
  N  N9  1  0.75833100  0.50000000  0.66124200  1
