# generated using pymatgen
data_Ti3Fe5P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93455763
_cell_length_b   3.57908373
_cell_length_c   6.71124343
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.79188422
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Fe5P4
_chemical_formula_sum   'Ti3 Fe5 P4'
_cell_volume   142.53506601
_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  0.97910000  0.00000000  0.68305200  1
  Ti  Ti1  1  0.52369500  0.50000000  0.17190800  1
  Ti  Ti2  1  0.02840100  0.50000000  0.32250000  1
  Fe  Fe3  1  0.35490700  0.00000000  0.44197600  1
  Fe  Fe4  1  0.85043000  0.00000000  0.05833900  1
  Fe  Fe5  1  0.64299600  0.50000000  0.56140300  1
  Fe  Fe6  1  0.14573600  0.50000000  0.93794200  1
  Fe  Fe7  1  0.46800400  0.00000000  0.82562800  1
  P  P8  1  0.72849500  0.00000000  0.37769200  1
  P  P9  1  0.22870200  0.00000000  0.11214000  1
  P  P10  1  0.28406200  0.50000000  0.63394800  1
  P  P11  1  0.76547200  0.50000000  0.87347200  1
