# generated using pymatgen
data_Mg5CuN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19943200
_cell_length_b   6.55087400
_cell_length_c   5.24556100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5CuN4
_chemical_formula_sum   'Mg10 Cu2 N8'
_cell_volume   247.39414784
_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
  Mg  Mg0  1  0.55048600  0.50552300  0.25127500  1.0
  Mg  Mg1  1  0.94951400  0.50552300  0.25127500  1.0
  Mg  Mg2  1  0.55048600  0.99447700  0.25127500  1.0
  Mg  Mg3  1  0.94951400  0.99447700  0.25127500  1.0
  Mg  Mg4  1  0.44951400  0.49447700  0.74872500  1.0
  Mg  Mg5  1  0.05048600  0.49447700  0.74872500  1.0
  Mg  Mg6  1  0.44951400  0.00552300  0.74872500  1.0
  Mg  Mg7  1  0.05048600  0.00552300  0.74872500  1.0
  Mg  Mg8  1  0.75000000  0.75000000  0.71596900  1.0
  Mg  Mg9  1  0.25000000  0.25000000  0.28403100  1.0
  Cu  Cu10  1  0.75000000  0.25000000  0.72172800  1.0
  Cu  Cu11  1  0.25000000  0.75000000  0.27827200  1.0
  N  N12  1  0.75000000  0.00153700  0.95920500  1.0
  N  N13  1  0.75000000  0.49846300  0.95920500  1.0
  N  N14  1  0.25000000  0.99846300  0.04079500  1.0
  N  N15  1  0.25000000  0.50153700  0.04079500  1.0
  N  N16  1  0.50377800  0.75000000  0.50826000  1.0
  N  N17  1  0.99622200  0.75000000  0.50826000  1.0
  N  N18  1  0.49622200  0.25000000  0.49174000  1.0
  N  N19  1  0.00377800  0.25000000  0.49174000  1.0