# generated using pymatgen
data_Sr2MgCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77724931
_cell_length_b   8.77724931
_cell_length_c   8.77724931
_cell_angle_alpha   155.47664519
_cell_angle_beta   155.47664519
_cell_angle_gamma   34.95679604
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgCuO4
_chemical_formula_sum   'Sr2 Mg1 Cu1 O4'
_cell_volume   116.36454689
_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  0.39502304  0.39502304  -0.00000000  1.0
  Sr  Sr1  1  0.60497696  0.60497696  0.00000000  1.0
  Mg  Mg2  1  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  -0.00000000  0.00000000  1.0
  O  O4  1  0.49677531  0.99677531  0.50000000  1.0
  O  O5  1  0.18594279  0.18594279  -0.00000000  1.0
  O  O6  1  0.81405721  0.81405721  0.00000000  1.0
  O  O7  1  0.00322469  0.50322469  0.50000000  1.0