# generated using pymatgen
data_Mn5CuN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83466900
_cell_length_b   5.64421600
_cell_length_c   4.65313300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5CuN4
_chemical_formula_sum   'Mn10 Cu2 N8'
_cell_volume   205.76416621
_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  0.56366300  0.48597500  0.25102700  1.0
  Mn  Mn1  1  0.93633700  0.48597500  0.25102700  1.0
  Mn  Mn2  1  0.56366300  0.01402500  0.25102700  1.0
  Mn  Mn3  1  0.93633700  0.01402500  0.25102700  1.0
  Mn  Mn4  1  0.43633700  0.51402500  0.74897300  1.0
  Mn  Mn5  1  0.06366300  0.51402500  0.74897300  1.0
  Mn  Mn6  1  0.43633700  0.98597500  0.74897300  1.0
  Mn  Mn7  1  0.06366300  0.98597500  0.74897300  1.0
  Mn  Mn8  1  0.75000000  0.75000000  0.75347600  1.0
  Mn  Mn9  1  0.25000000  0.25000000  0.24652400  1.0
  Cu  Cu10  1  0.75000000  0.25000000  0.70659100  1.0
  Cu  Cu11  1  0.25000000  0.75000000  0.29340900  1.0
  N  N12  1  0.75000000  0.99856800  0.01635200  1.0
  N  N13  1  0.75000000  0.50143200  0.01635200  1.0
  N  N14  1  0.25000000  0.00143200  0.98364800  1.0
  N  N15  1  0.25000000  0.49856800  0.98364800  1.0
  N  N16  1  0.54994500  0.75000000  0.51199000  1.0
  N  N17  1  0.95005500  0.75000000  0.51199000  1.0
  N  N18  1  0.45005500  0.25000000  0.48801000  1.0
  N  N19  1  0.04994500  0.25000000  0.48801000  1.0