# generated using pymatgen
data_MgCr4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34450067
_cell_length_b   7.34242899
_cell_length_c   7.34156677
_cell_angle_alpha   90.06930351
_cell_angle_beta   89.87769811
_cell_angle_gamma   90.11522846
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCr4(CuO4)3
_chemical_formula_sum   'Mg2 Cr8 Cu6 O24'
_cell_volume   395.90282423
_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  0.99999400  0.99999900  0.00000000  1.0
  Mg  Mg1  1  0.49999900  0.49999200  0.50000800  1.0
  Cr  Cr2  1  0.74999700  0.75000200  0.75000100  1.0
  Cr  Cr3  1  0.75000200  0.25000100  0.25000100  1.0
  Cr  Cr4  1  0.75000100  0.25000400  0.74999500  1.0
  Cr  Cr5  1  0.25000000  0.24999800  0.75000100  1.0
  Cr  Cr6  1  0.25000300  0.25001000  0.24999800  1.0
  Cr  Cr7  1  0.25000200  0.74999700  0.74999400  1.0
  Cr  Cr8  1  0.25000000  0.74999500  0.25000200  1.0
  Cr  Cr9  1  0.74999600  0.74999500  0.25000200  1.0
  Cu  Cu10  1  0.50000200  0.00000100  0.49999700  1.0
  Cu  Cu11  1  0.00000200  0.50000500  0.50000400  1.0
  Cu  Cu12  1  0.49999400  0.49999700  0.99999800  1.0
  Cu  Cu13  1  0.99999900  0.49999700  0.00000900  1.0
  Cu  Cu14  1  0.50000100  0.99999300  0.99999800  1.0
  Cu  Cu15  1  0.00000400  0.00000000  0.50000200  1.0
  O  O16  1  0.80800200  0.49970800  0.33163200  1.0
  O  O17  1  0.30800500  0.99970800  0.83161500  1.0
  O  O18  1  0.69199800  0.00028900  0.16837700  1.0
  O  O19  1  0.19199800  0.50028800  0.66837000  1.0
  O  O20  1  0.19131900  0.49931200  0.33069800  1.0
  O  O21  1  0.69132600  0.99930800  0.83068500  1.0
  O  O22  1  0.16934600  0.69130100  0.99953700  1.0
  O  O23  1  0.66933500  0.19130900  0.49952500  1.0
  O  O24  1  0.99950500  0.83118700  0.30821900  1.0
  O  O25  1  0.49949600  0.33119700  0.80820200  1.0
  O  O26  1  0.50015500  0.66888400  0.80846000  1.0
  O  O27  1  0.00015600  0.16890300  0.30846600  1.0
  O  O28  1  0.16836700  0.30801600  0.99971400  1.0
  O  O29  1  0.66835600  0.80802000  0.49971000  1.0
  O  O30  1  0.50049300  0.66879900  0.19178100  1.0
  O  O31  1  0.00050100  0.16880900  0.69179500  1.0
  O  O32  1  0.30868300  0.00069000  0.16931400  1.0
  O  O33  1  0.80867400  0.50069400  0.66930500  1.0
  O  O34  1  0.33066800  0.80870600  0.50046000  1.0
  O  O35  1  0.83065300  0.30869900  0.00047200  1.0
  O  O36  1  0.99984600  0.83110300  0.69153600  1.0
  O  O37  1  0.49984400  0.33111000  0.19153600  1.0
  O  O38  1  0.33164800  0.19198600  0.50028800  1.0
  O  O39  1  0.83162800  0.69198100  0.00029100  1.0