# generated using pymatgen
data_Sr2MgCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74287990
_cell_length_b   8.82175812
_cell_length_c   9.24639405
_cell_angle_alpha   155.67697976
_cell_angle_beta   156.92564887
_cell_angle_gamma   34.49783885
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgCuO4
_chemical_formula_sum   'Sr2 Mg1 Cu1 O4'
_cell_volume   127.79249582
_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
  Sr  Sr0  1  0.47055629  0.33191265  0.00000000  1.0
  Sr  Sr1  1  0.52944371  0.66808735  -0.00000000  1.0
  Mg  Mg2  1  -0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu3  1  -0.00000000  0.00000000  0.00000000  1.0
  O  O4  1  0.50000000  0.00000000  0.50000000  1.0
  O  O5  1  0.17410225  0.16129585  -0.00000000  1.0
  O  O6  1  0.82589775  0.83870415  0.00000000  1.0
  O  O7  1  -0.00000000  0.50000000  0.50000000  1.0