# generated using pymatgen
data_Sr2MgCu(IO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06166340
_cell_length_b   4.06174598
_cell_length_c   13.70426534
_cell_angle_alpha   98.51250288
_cell_angle_beta   98.52204316
_cell_angle_gamma   90.00000552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgCu(IO)2
_chemical_formula_sum   'Sr2 Mg1 Cu1 I2 O2'
_cell_volume   221.07036612
_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  0.43976700  0.43979800  0.87953600  1.0
  Sr  Sr1  1  0.56023100  0.56020400  0.12046200  1.0
  Mg  Mg2  1  0.75000000  0.25000500  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.00001400  0.99999900  1.0
  I  I4  1  0.13211500  0.13231000  0.26422900  1.0
  I  I5  1  0.86788800  0.86767700  0.73577500  1.0
  O  O6  1  0.49992700  0.99993200  0.99985400  1.0
  O  O7  1  0.00007200  0.50006100  0.00014400  1.0