# generated using pymatgen
data_TiMnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19924807
_cell_length_b   6.19924807
_cell_length_c   3.38000628
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnP
_chemical_formula_sum   'Ti3 Mn3 P3'
_cell_volume   112.49317381
_cell_formula_units_Z   3
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  0.58925700  0.00000000  0.00000000  1
  Ti  Ti1  1  0.00000000  0.58925700  0.00000000  1
  Ti  Ti2  1  0.41074300  0.41074300  0.00000000  1
  Mn  Mn3  1  0.24718400  0.00000000  0.50000000  1
  Mn  Mn4  1  0.00000000  0.24718400  0.50000000  1
  Mn  Mn5  1  0.75281600  0.75281600  0.50000000  1
  P  P6  1  0.33333300  0.66666700  0.50000000  1
  P  P7  1  0.66666700  0.33333300  0.50000000  1
  P  P8  1  0.00000000  0.00000000  0.00000000  1
