data_TiCr2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   141.81
_cell_angle_beta   129.99
_cell_angle_gamma   64.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCr2P
_chemical_formula_sum   'Ti1 Cr2 P1'
_cell_volume   49.09
_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  0.0  0.99  0.03  1.0
  Cr  Cr0  1  0.0  0.0  0.07  1.0
  Cr  Cr1  1  0.54  0.0  0.97  1.0
  P  P2  1  0.0  0.0  0.9  1.0

data_TiCr2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.99
_cell_length_c   4.72
_cell_angle_alpha   115.01
_cell_angle_beta   109.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCr2P
_chemical_formula_sum   'Ti1 Cr2 P1'
_cell_volume   49.09
_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  0.01  0.04  0.04  1.0
  Cr  Cr1  1  0.0  0.07  0.07  1.0
  Cr  Cr2  1  0.0  0.97  0.43  1.0
  P  P3  1  0.0  0.9  0.9  1.0

Ti Cr Cr P