# generated using pymatgen
data_Mn5CuN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64421612
_cell_length_b   7.83466913
_cell_length_c   4.65313272
_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   205.76416161
_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  0.74897300  0.23597500  0.31366300  1
  Mn  Mn1  1  0.74897300  0.23597500  0.68633700  1
  Mn  Mn2  1  0.74897300  0.76402500  0.31366300  1
  Mn  Mn3  1  0.74897300  0.76402500  0.68633700  1
  Mn  Mn4  1  0.25102700  0.26402500  0.18633700  1
  Mn  Mn5  1  0.25102700  0.26402500  0.81366300  1
  Mn  Mn6  1  0.25102700  0.73597500  0.18633700  1
  Mn  Mn7  1  0.25102700  0.73597500  0.81366300  1
  Mn  Mn8  1  0.24652400  0.50000000  0.50000000  1
  Mn  Mn9  1  0.75347600  0.00000000  0.00000000  1
  Cu  Cu10  1  0.29340900  0.00000000  0.50000000  1
  Cu  Cu11  1  0.70659100  0.50000000  0.00000000  1
  N  N12  1  0.98364800  0.74856800  0.50000000  1
  N  N13  1  0.98364800  0.25143200  0.50000000  1
  N  N14  1  0.01635200  0.75143200  0.00000000  1
  N  N15  1  0.01635200  0.24856800  0.00000000  1
  N  N16  1  0.48801000  0.50000000  0.29994500  1
  N  N17  1  0.48801000  0.50000000  0.70005500  1
  N  N18  1  0.51199000  0.00000000  0.20005500  1
  N  N19  1  0.51199000  0.00000000  0.79994500  1
