# generated using pymatgen
data_Ti3MnCu2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61797643
_cell_length_b   8.61797643
_cell_length_c   8.61797735
_cell_angle_alpha   59.97746092
_cell_angle_beta   59.97746092
_cell_angle_gamma   59.97745855
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3MnCu2(PO4)6
_chemical_formula_sum   'Ti3 Mn1 Cu2 P6 O24'
_cell_volume   452.35451216
_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
  Ti  Ti0  1  0.85695900  0.85695900  0.85695900  1.0
  Ti  Ti1  1  0.64352300  0.64352300  0.64352300  1.0
  Ti  Ti2  1  0.35617800  0.35617800  0.35617800  1.0
  Mn  Mn3  1  0.14354400  0.14354400  0.14354400  1.0
  Cu  Cu4  1  0.99962500  0.99962500  0.99962500  1.0
  Cu  Cu5  1  0.50008200  0.50008200  0.50008200  1.0
  P  P6  1  0.45703600  0.04156700  0.75092600  1.0
  P  P7  1  0.04156700  0.75092600  0.45703600  1.0
  P  P8  1  0.75092600  0.45703600  0.04156700  1.0
  P  P9  1  0.24943900  0.54243100  0.95728300  1.0
  P  P10  1  0.95728300  0.24943900  0.54243100  1.0
  P  P11  1  0.54243100  0.95728300  0.24943900  1.0
  O  O12  1  0.68878200  0.50591300  0.87876000  1.0
  O  O13  1  0.50591300  0.87876000  0.68878200  1.0
  O  O14  1  0.08475000  0.73720100  0.94348500  1.0
  O  O15  1  0.87876000  0.68878200  0.50591300  1.0
  O  O16  1  0.19279400  0.38777100  0.98605800  1.0
  O  O17  1  0.41679800  0.56483500  0.76639400  1.0
  O  O18  1  0.94348500  0.08475000  0.73720100  1.0
  O  O19  1  0.76639400  0.41679800  0.56483500  1.0
  O  O20  1  0.62188800  0.99784700  0.80929700  1.0
  O  O21  1  0.56483500  0.76639400  0.41679800  1.0
  O  O22  1  0.26512700  0.05133900  0.91302100  1.0
  O  O23  1  0.99784700  0.80929700  0.62188800  1.0
  O  O24  1  0.98605800  0.19279400  0.38777100  1.0
  O  O25  1  0.73720100  0.94348500  0.08475000  1.0
  O  O26  1  0.44489500  0.23310200  0.58373200  1.0
  O  O27  1  0.38777100  0.98605800  0.19279400  1.0
  O  O28  1  0.23310200  0.58373200  0.44489500  1.0
  O  O29  1  0.05133900  0.91302100  0.26512700  1.0
  O  O30  1  0.58373200  0.44489500  0.23310200  1.0
  O  O31  1  0.80929700  0.62188800  0.99784700  1.0
  O  O32  1  0.12349600  0.30679400  0.49732800  1.0
  O  O33  1  0.91302100  0.26512700  0.05133900  1.0
  O  O34  1  0.49732800  0.12349600  0.30679400  1.0
  O  O35  1  0.30679400  0.49732800  0.12349600  1.0