# generated using pymatgen
data_Sr2MgCu(IO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04902822
_cell_length_b   4.04902883
_cell_length_c   13.72492793
_cell_angle_alpha   98.48244705
_cell_angle_beta   98.48245300
_cell_angle_gamma   90.00000034
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgCu(IO)2
_chemical_formula_sum   'Sr2 Mg1 Cu1 I2 O2'
_cell_volume   220.06477321
_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  0.44432600  0.44432600  0.88865400  1.0
  Sr  Sr1  1  0.56574700  0.56574700  0.13149300  1.0
  Mg  Mg2  1  0.26360700  0.26360700  0.52721300  1.0
  Cu  Cu3  1  0.00520100  0.00520100  0.01040200  1.0
  I  I4  1  0.13689500  0.13689500  0.27378900  1.0
  I  I5  1  0.87362300  0.87362300  0.74724600  1.0
  O  O6  1  0.50530100  0.00530100  0.01060100  1.0
  O  O7  1  0.00530100  0.50530100  0.01060100  1.0