# generated using pymatgen
data_BaMgCu3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78337732
_cell_length_b   5.68065750
_cell_length_c   6.32305684
_cell_angle_alpha   116.69746318
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgCu3O4
_chemical_formula_sum   'Ba1 Mg1 Cu3 O4'
_cell_volume   185.58758834
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.50000000  0.00035612  0.00072043  1.0
  Mg  Mg1  1  0.00000000  0.99987218  0.99974223  1.0
  Cu  Cu2  1  0.00000000  0.50000591  1.00003031  1.0
  Cu  Cu3  1  0.00000000  0.25341844  0.50677732  1.0
  Cu  Cu4  1  0.00000000  0.74644234  0.49293767  1.0
  O  O5  1  0.00000000  0.36384575  0.24394634  1.0
  O  O6  1  0.00000000  0.63570055  0.75595704  1.0
  O  O7  1  0.00000000  0.12019803  0.75591993  1.0
  O  O8  1  0.00000000  0.88016168  0.24396973  1.0