# generated using pymatgen
data_MgTi4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47458023
_cell_length_b   6.64756728
_cell_length_c   6.47458193
_cell_angle_alpha   108.74000931
_cell_angle_beta   109.04652995
_cell_angle_gamma   109.56398114
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi4(CuO4)3
_chemical_formula_sum   'Mg1 Ti4 Cu3 O12'
_cell_volume   217.27859638
_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  0.86935600  0.35406600  0.48471100  1.0
  Ti  Ti1  1  0.97021900  0.97653600  0.49636800  1.0
  Ti  Ti2  1  0.97488600  0.46352100  0.01048300  1.0
  Ti  Ti3  1  0.45303800  0.46352100  0.48863500  1.0
  Ti  Ti4  1  0.48016800  0.97653600  0.00631700  1.0
  Cu  Cu5  1  0.48756500  0.47667200  0.98910600  1.0
  Cu  Cu6  1  0.15675400  0.71916100  0.56240700  1.0
  Cu  Cu7  1  0.49303800  0.98129300  0.48825500  1.0
  O  O8  1  0.80184500  0.28101600  0.11408900  1.0
  O  O9  1  0.18308400  0.67314000  0.85248100  1.0
  O  O10  1  0.82066000  0.67314000  0.49005700  1.0
  O  O11  1  0.29611500  0.46727600  0.17116200  1.0
  O  O12  1  0.49379000  0.17199300  0.30926100  1.0
  O  O13  1  0.12073000  0.79319900  0.29444100  1.0
  O  O14  1  0.68114300  0.86593900  0.18479600  1.0
  O  O15  1  0.49875900  0.79319900  0.67246900  1.0
  O  O16  1  0.16692700  0.28101600  0.47916900  1.0
  O  O17  1  0.68125700  0.48403900  0.80278200  1.0
  O  O18  1  0.86273300  0.17199300  0.67820200  1.0
  O  O19  1  0.29959800  0.10982500  0.81022600  1.0