# generated using pymatgen
data_MgV4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37437654
_cell_length_b   6.36864599
_cell_length_c   6.38275451
_cell_angle_alpha   109.00342318
_cell_angle_beta   109.64950649
_cell_angle_gamma   109.73180308
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV4(CuO4)3
_chemical_formula_sum   'Mg1 V4 Cu3 O12'
_cell_volume   199.53094910
_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  0.00000700  0.00000500  0.00000700  1.0
  V  V1  1  0.00000600  0.00000700  0.50000100  1.0
  V  V2  1  0.00000100  0.50000300  0.00000300  1.0
  V  V3  1  0.49999000  0.49999400  0.49999200  1.0
  V  V4  1  0.50000100  0.00000300  0.00000500  1.0
  Cu  Cu5  1  0.49999300  0.49999600  0.99999600  1.0
  Cu  Cu6  1  0.00000400  0.49999500  0.49999800  1.0
  Cu  Cu7  1  0.50000000  0.00001800  0.50000900  1.0
  O  O8  1  0.82553900  0.30072500  0.12637900  1.0
  O  O9  1  0.17446600  0.69926900  0.87362200  1.0
  O  O10  1  0.82186100  0.70138900  0.52355800  1.0
  O  O11  1  0.29386200  0.47385600  0.17124300  1.0
  O  O12  1  0.47952200  0.18060600  0.30407400  1.0
  O  O13  1  0.12441800  0.82574200  0.30468200  1.0
  O  O14  1  0.69620800  0.87602700  0.17228200  1.0
  O  O15  1  0.52047700  0.81939700  0.69591900  1.0
  O  O16  1  0.17814800  0.29860400  0.47644500  1.0
  O  O17  1  0.70613400  0.52614300  0.82875600  1.0
  O  O18  1  0.87557900  0.17425900  0.69531600  1.0
  O  O19  1  0.30378300  0.12396400  0.82771600  1.0