data_TaAlP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlP
_chemical_formula_sum   'Ta1 Al1 P1'
_cell_volume   48.89
_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
  Ta  Ta2  1  0.0  0.52  0.49  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.18  0.26  0.49  1.0

data_TaAlP
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.36
_cell_length_b   2.97
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaAlP
_chemical_formula_sum   'Ta1 Al1 P1'
_cell_volume   48.89
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ta  Ta0  1  0.0  0.5  0.52  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.18  0.5  0.26  1.0

Ta Al P