# generated using pymatgen
data_Sr2MgCu(BrO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12474353
_cell_length_b   4.12474264
_cell_length_c   11.43195884
_cell_angle_alpha   100.39330469
_cell_angle_beta   100.39330259
_cell_angle_gamma   89.99999492
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgCu(BrO)2
_chemical_formula_sum   'Sr2 Mg1 Cu1 Br2 O2'
_cell_volume   188.06113387
_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  0.64686318  0.64686318  0.29372736  1.0
  Sr  Sr1  1  0.35313682  0.35313682  0.70627264  1.0
  Mg  Mg2  1  0.50000000  0.50000000  -0.00000000  1.0
  Cu  Cu3  1  -0.00000000  0.00000000  -0.00000000  1.0
  Br  Br4  1  0.80478127  0.80478127  0.60956255  1.0
  Br  Br5  1  0.19521873  0.19521873  0.39043745  1.0
  O  O6  1  0.50000000  0.00000000  -0.00000000  1.0
  O  O7  1  -0.00000000  0.50000000  0.00000000  1.0