# generated using pymatgen
data_TiMn3Cu2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.57271824
_cell_length_b   8.57271861
_cell_length_c   8.57271769
_cell_angle_alpha   60.03685557
_cell_angle_beta   60.03685654
_cell_angle_gamma   60.03685982
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn3Cu2(PO4)6
_chemical_formula_sum   'Ti1 Mn3 Cu2 P6 O24'
_cell_volume   445.86494095
_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  0.85712100  0.85712100  0.85712100  1.0
  Mn  Mn1  1  0.14340000  0.14340000  0.14340000  1.0
  Mn  Mn2  1  0.35763400  0.35763400  0.35763400  1.0
  Mn  Mn3  1  0.64290100  0.64290100  0.64290100  1.0
  Cu  Cu4  1  0.99961900  0.99961900  0.99961900  1.0
  Cu  Cu5  1  0.50099000  0.50099000  0.50099000  1.0
  P  P6  1  0.74966400  0.45613000  0.04202600  1.0
  P  P7  1  0.04202600  0.74966400  0.45613000  1.0
  P  P8  1  0.45613000  0.04202600  0.74966400  1.0
  P  P9  1  0.25178100  0.53969900  0.96043700  1.0
  P  P10  1  0.53969900  0.96043700  0.25178100  1.0
  P  P11  1  0.96043700  0.25178100  0.53969900  1.0
  O  O12  1  0.12035000  0.30656700  0.50941500  1.0
  O  O13  1  0.30656700  0.50941500  0.12035000  1.0
  O  O14  1  0.05781900  0.91660500  0.26144000  1.0
  O  O15  1  0.50941500  0.12035000  0.30656700  1.0
  O  O16  1  0.99928400  0.80785700  0.62129400  1.0
  O  O17  1  0.23850400  0.58366400  0.44618500  1.0
  O  O18  1  0.26144000  0.05781900  0.91660500  1.0
  O  O19  1  0.44618500  0.23850400  0.58366400  1.0
  O  O20  1  0.19479900  0.38122600  0.99126300  1.0
  O  O21  1  0.58366400  0.44618500  0.23850400  1.0
  O  O22  1  0.08529500  0.73598500  0.94041600  1.0
  O  O23  1  0.38122600  0.99126300  0.19479900  1.0
  O  O24  1  0.62129400  0.99928400  0.80785700  1.0
  O  O25  1  0.91660500  0.26144000  0.05781900  1.0
  O  O26  1  0.41765200  0.55511900  0.76325100  1.0
  O  O27  1  0.80785700  0.62129400  0.99928400  1.0
  O  O28  1  0.55511900  0.76325100  0.41765200  1.0
  O  O29  1  0.73598500  0.94041600  0.08529500  1.0
  O  O30  1  0.76325100  0.41765200  0.55511900  1.0
  O  O31  1  0.99126300  0.19479900  0.38122600  1.0
  O  O32  1  0.48792200  0.88319500  0.69349000  1.0
  O  O33  1  0.94041600  0.08529500  0.73598500  1.0
  O  O34  1  0.69349000  0.48792200  0.88319500  1.0
  O  O35  1  0.88319500  0.69349000  0.48792200  1.0