# generated using pymatgen
data_MgCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01360200
_cell_length_b   5.27743300
_cell_length_c   7.15675000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCr2O6
_chemical_formula_sum   'Mg2 Cr4 O12'
_cell_volume   189.36008071
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.52645500  0.32639000  0.50000000  1.0
  Mg  Mg1  1  0.02645500  0.67361000  0.00000000  1.0
  Cr  Cr2  1  0.52979400  0.76669500  0.73943100  1.0
  Cr  Cr3  1  0.02979400  0.23330500  0.76056900  1.0
  Cr  Cr4  1  0.02979400  0.23330500  0.23943100  1.0
  Cr  Cr5  1  0.52979400  0.76669500  0.26056900  1.0
  O  O6  1  0.68227500  0.05946400  0.31359300  1.0
  O  O7  1  0.18227500  0.94053600  0.18640700  1.0
  O  O8  1  0.76995500  0.53482600  0.69336000  1.0
  O  O9  1  0.26995500  0.46517400  0.80664000  1.0
  O  O10  1  0.26995500  0.46517400  0.19336000  1.0
  O  O11  1  0.76995500  0.53482600  0.30664000  1.0
  O  O12  1  0.18227500  0.94053600  0.81359300  1.0
  O  O13  1  0.68227500  0.05946400  0.68640700  1.0
  O  O14  1  0.13398300  0.22854500  0.50000000  1.0
  O  O15  1  0.63398300  0.77145500  0.00000000  1.0
  O  O16  1  0.38833100  0.72902500  0.50000000  1.0
  O  O17  1  0.88833100  0.27097500  0.00000000  1.0