data_TiMnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.13
_cell_angle_alpha   101.33
_cell_angle_beta   101.33
_cell_angle_gamma   39.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnP2
_chemical_formula_sum   'Ti1 Mn1 P2'
_cell_volume   54.18
_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  Ti3  1  0.8  0.0  0.69  1.0
  Mn  Mn0  1  0.64  0.0  0.34  1.0
  P  P1  1  0.74  0.0  0.73  1.0
  P  P2  1  0.22  0.0  0.35  1.0

data_TiMnP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.13
_cell_length_c   4.58
_cell_angle_alpha   101.33
_cell_angle_beta   109.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnP2
_chemical_formula_sum   'Ti1 Mn1 P2'
_cell_volume   54.18
_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  0.0  0.69  0.8  1.0
  Mn  Mn1  1  0.0  0.34  0.64  1.0
  P  P2  1  0.0  0.35  0.22  1.0
  P  P3  1  0.0  0.73  0.74  1.0

Ti Mn P P