data_TaReP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   143.23
_cell_angle_beta   118.53
_cell_angle_gamma   73.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReP2
_chemical_formula_sum   'Ta1 Re1 P2'
_cell_volume   60.78
_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  Ta3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.0  0.92  1.0
  P  P0  1  0.0  0.51  0.85  1.0
  P  P1  1  0.55  0.0  0.08  1.0

data_TaReP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   61.47
_cell_angle_beta   71.61
_cell_angle_gamma   71.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReP2
_chemical_formula_sum   'Ta1 Re1 P2'
_cell_volume   60.78
_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  Ta0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.92  0.0  0.08  1.0
  P  P2  1  0.53  0.55  0.92  1.0
  P  P3  1  0.85  0.0  0.66  1.0

Ta Re P P