data_TiCo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   2.68
_cell_angle_alpha   105.15
_cell_angle_beta   105.15
_cell_angle_gamma   115.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCo2P
_chemical_formula_sum   'Ti1 Co2 P1'
_cell_volume   48.59
_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  0.56  0.0  0.0  1.0
  Co  Co0  1  0.62  0.96  0.17  1.0
  Co  Co1  1  0.62  0.04  0.17  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TiCo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.45
_cell_length_c   4.81
_cell_angle_alpha   116.91
_cell_angle_beta   105.15
_cell_angle_gamma   92.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCo2P
_chemical_formula_sum   'Ti1 Co2 P1'
_cell_volume   48.59
_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  0.0  0.56  1.0
  Co  Co1  1  0.13  0.96  0.58  1.0
  Co  Co2  1  0.2  0.04  0.66  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ti Co Co P
Ti Co Co P 0 2 o o o 0 3 + o o 1 2 o + o 1 3 + + + 1 3 + + o 2 3 + o o 