# generated using pymatgen
data_MgV4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37804871
_cell_length_b   6.36679743
_cell_length_c   6.37964167
_cell_angle_alpha   109.64982844
_cell_angle_beta   109.39620159
_cell_angle_gamma   109.42870689
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV4(CuO4)3
_chemical_formula_sum   'Mg1 V4 Cu3 O12'
_cell_volume   199.27535338
_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
  Mg  Mg0  1  0.99997700  0.99992600  0.99998600  1.0
  V  V1  1  0.50002100  0.50010500  0.50008900  1.0
  V  V2  1  0.99993500  0.49987000  0.99992400  1.0
  V  V3  1  0.00008800  0.00010700  0.50015400  1.0
  V  V4  1  0.50002900  0.00005900  0.99996900  1.0
  Cu  Cu5  1  0.99992600  0.49989100  0.49992300  1.0
  Cu  Cu6  1  0.50002000  0.49999100  0.00000500  1.0
  Cu  Cu7  1  0.50000200  0.99997500  0.49998200  1.0
  O  O8  1  0.12383200  0.81662400  0.29285400  1.0
  O  O9  1  0.82258100  0.69846100  0.52731000  1.0
  O  O10  1  0.29972400  0.47363000  0.17656500  1.0
  O  O11  1  0.18427800  0.70579400  0.87776500  1.0
  O  O12  1  0.70032600  0.52645400  0.82347500  1.0
  O  O13  1  0.17742100  0.30148700  0.47263200  1.0
  O  O14  1  0.69128900  0.87629300  0.17165200  1.0
  O  O15  1  0.30876300  0.12374800  0.82839800  1.0
  O  O16  1  0.81572100  0.29421000  0.12225900  1.0
  O  O17  1  0.51908600  0.82473700  0.70085100  1.0
  O  O18  1  0.48086800  0.17523300  0.29909100  1.0
  O  O19  1  0.87611400  0.18340600  0.70711600  1.0