# generated using pymatgen
data_Ti(MnP6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.05021335
_cell_length_b   5.80046054
_cell_length_c   10.65148872
_cell_angle_alpha   90.00000000
_cell_angle_beta   115.19972932
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(MnP6)2
_chemical_formula_sum   'Ti4 Mn8 P48'
_cell_volume   897.26378699
_cell_formula_units_Z   4
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  0.00000000  0.69642500  0.25000000  1
  Ti  Ti1  1  0.00000000  0.30357500  0.75000000  1
  Ti  Ti2  1  0.50000000  0.19642500  0.25000000  1
  Ti  Ti3  1  0.50000000  0.80357500  0.75000000  1
  Mn  Mn4  1  0.31744300  0.31022600  0.45374500  1
  Mn  Mn5  1  0.18255700  0.81022600  0.04625500  1
  Mn  Mn6  1  0.31744300  0.68977400  0.95374500  1
  Mn  Mn7  1  0.18255700  0.18977400  0.54625500  1
  Mn  Mn8  1  0.81744300  0.81022600  0.45374500  1
  Mn  Mn9  1  0.68255700  0.31022600  0.04625500  1
  Mn  Mn10  1  0.81744300  0.18977400  0.95374500  1
  Mn  Mn11  1  0.68255700  0.68977400  0.54625500  1
  P  P12  1  0.27391400  0.32143700  0.92526900  1
  P  P13  1  0.22608600  0.82143700  0.57473100  1
  P  P14  1  0.22608600  0.17856300  0.07473100  1
  P  P15  1  0.27391400  0.67856300  0.42526900  1
  P  P16  1  0.43807100  0.14694100  0.83332500  1
  P  P17  1  0.06192900  0.64694100  0.66666700  1
  P  P18  1  0.15601900  0.82374800  0.24285000  1
  P  P19  1  0.34398100  0.32374800  0.25715000  1
  P  P20  1  0.34398100  0.67625200  0.75715000  1
  P  P21  1  0.15601900  0.17625200  0.74285000  1
  P  P22  1  0.46697900  0.54912200  0.07226800  1
  P  P23  1  0.03302100  0.04912200  0.42773200  1
  P  P24  1  0.03302100  0.95087800  0.92773200  1
  P  P25  1  0.46697900  0.45087800  0.57226800  1
  P  P26  1  0.38301200  0.95070900  0.49393300  1
  P  P27  1  0.11698800  0.45070900  0.00606700  1
  P  P28  1  0.11698800  0.54929100  0.50606700  1
  P  P29  1  0.38301200  0.04929100  0.99393300  1
  P  P30  1  0.32201600  0.67265200  0.16462600  1
  P  P31  1  0.17798400  0.17265200  0.33537400  1
  P  P32  1  0.17798400  0.82734800  0.83537400  1
  P  P33  1  0.32201600  0.32734800  0.66462600  1
  P  P34  1  0.43807100  0.85305900  0.33333300  1
  P  P35  1  0.06192900  0.35305900  0.16667500  1
  P  P36  1  0.77391400  0.82143700  0.92526900  1
  P  P37  1  0.72608600  0.32143700  0.57473100  1
  P  P38  1  0.72608600  0.67856300  0.07473100  1
  P  P39  1  0.77391400  0.17856300  0.42526900  1
  P  P40  1  0.93807100  0.64694100  0.83332500  1
  P  P41  1  0.56192900  0.14694100  0.66666700  1
  P  P42  1  0.65601900  0.32374800  0.24285000  1
  P  P43  1  0.84398100  0.82374800  0.25715000  1
  P  P44  1  0.84398100  0.17625200  0.75715000  1
  P  P45  1  0.65601900  0.67625200  0.74285000  1
  P  P46  1  0.96697900  0.04912200  0.07226800  1
  P  P47  1  0.53302100  0.54912200  0.42773200  1
  P  P48  1  0.53302100  0.45087800  0.92773200  1
  P  P49  1  0.96697900  0.95087800  0.57226800  1
  P  P50  1  0.88301200  0.45070900  0.49393300  1
  P  P51  1  0.61698800  0.95070900  0.00606700  1
  P  P52  1  0.61698800  0.04929100  0.50606700  1
  P  P53  1  0.88301200  0.54929100  0.99393300  1
  P  P54  1  0.82201600  0.17265200  0.16462600  1
  P  P55  1  0.67798400  0.67265200  0.33537400  1
  P  P56  1  0.67798400  0.32734800  0.83537400  1
  P  P57  1  0.82201600  0.82734800  0.66462600  1
  P  P58  1  0.93807100  0.35305900  0.33333300  1
  P  P59  1  0.56192900  0.85305900  0.16667500  1
