# generated using pymatgen
data_MgCr2(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49987171
_cell_length_b   8.24956500
_cell_length_c   11.89302794
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.27232152
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCr2(CuO4)2
_chemical_formula_sum   'Mg4 Cr8 Cu8 O32'
_cell_volume   637.71020573
_cell_formula_units_Z   4
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  0.11517900  0.15927400  0.04865200  1.0
  Mg  Mg1  1  0.88482100  0.84072600  0.95134800  1.0
  Mg  Mg2  1  0.88482100  0.65927400  0.45134800  1.0
  Mg  Mg3  1  0.11517900  0.34072600  0.54865200  1.0
  Cr  Cr4  1  0.10216300  0.46149000  0.84570600  1.0
  Cr  Cr5  1  0.10216300  0.03851000  0.34570600  1.0
  Cr  Cr6  1  0.61161900  0.08555900  0.13135800  1.0
  Cr  Cr7  1  0.89783700  0.96149000  0.65429400  1.0
  Cr  Cr8  1  0.38838100  0.91444100  0.86864200  1.0
  Cr  Cr9  1  0.38838100  0.58555900  0.36864200  1.0
  Cr  Cr10  1  0.61161900  0.41444100  0.63135800  1.0
  Cr  Cr11  1  0.89783700  0.53851000  0.15429400  1.0
  Cu  Cu12  1  0.75934200  0.18246900  0.87079400  1.0
  Cu  Cu13  1  0.38240500  0.05917700  0.63386100  1.0
  Cu  Cu14  1  0.61759500  0.94082300  0.36613900  1.0
  Cu  Cu15  1  0.24065800  0.81753100  0.12920600  1.0
  Cu  Cu16  1  0.75934200  0.31753100  0.37079400  1.0
  Cu  Cu17  1  0.38240500  0.44082300  0.13386100  1.0
  Cu  Cu18  1  0.24065800  0.68246900  0.62920600  1.0
  Cu  Cu19  1  0.61759500  0.55917700  0.86613900  1.0
  O  O20  1  0.03664200  0.22554100  0.39471200  1.0
  O  O21  1  0.67089800  0.01084200  0.59948400  1.0
  O  O22  1  0.18685300  0.57452100  0.47226900  1.0
  O  O23  1  0.81314700  0.07452100  0.02773100  1.0
  O  O24  1  0.03664200  0.27445900  0.89471200  1.0
  O  O25  1  0.96335800  0.77445900  0.60528800  1.0
  O  O26  1  0.07777700  0.10225200  0.61681000  1.0
  O  O27  1  0.51379400  0.89468100  0.13941000  1.0
  O  O28  1  0.51379400  0.60531900  0.63941000  1.0
  O  O29  1  0.31593200  0.86780100  0.72947300  1.0
  O  O30  1  0.68406800  0.36780100  0.77052700  1.0
  O  O31  1  0.48620600  0.10531900  0.86059000  1.0
  O  O32  1  0.92222300  0.89774800  0.38319000  1.0
  O  O33  1  0.87910800  0.53964200  0.29437100  1.0
  O  O34  1  0.41456300  0.28247200  0.58539700  1.0
  O  O35  1  0.41456300  0.21752800  0.08539700  1.0
  O  O36  1  0.12089200  0.03964200  0.20562900  1.0
  O  O37  1  0.48620600  0.39468100  0.36059000  1.0
  O  O38  1  0.12089200  0.46035800  0.70562900  1.0
  O  O39  1  0.81314700  0.42547900  0.52773100  1.0
  O  O40  1  0.67089800  0.48915800  0.09948400  1.0
  O  O41  1  0.68406800  0.13219900  0.27052700  1.0
  O  O42  1  0.96335800  0.72554100  0.10528800  1.0
  O  O43  1  0.07777700  0.39774800  0.11681000  1.0
  O  O44  1  0.18685300  0.92547900  0.97226900  1.0
  O  O45  1  0.58543700  0.78247200  0.91460300  1.0
  O  O46  1  0.32910200  0.98915800  0.40051600  1.0
  O  O47  1  0.32910200  0.51084200  0.90051600  1.0
  O  O48  1  0.92222300  0.60225200  0.88319000  1.0
  O  O49  1  0.58543700  0.71752800  0.41460300  1.0
  O  O50  1  0.31593200  0.63219900  0.22947300  1.0
  O  O51  1  0.87910800  0.96035800  0.79437100  1.0