data_TaTcP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   5.46
_cell_angle_alpha   101.35
_cell_angle_beta   101.35
_cell_angle_gamma   44.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcP2
_chemical_formula_sum   'Ta1 Tc1 P2'
_cell_volume   59.23
_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  0.09  0.0  0.67  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  P  P0  1  0.95  0.0  0.16  1.0
  P  P1  1  0.22  0.0  0.18  1.0

data_TaTcP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.97
_cell_length_c   5.46
_cell_angle_alpha   101.35
_cell_angle_beta   90.0
_cell_angle_gamma   112.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcP2
_chemical_formula_sum   'Ta1 Tc1 P2'
_cell_volume   59.23
_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  0.91  0.33  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.05  0.84  1.0
  P  P3  1  0.0  0.78  0.82  1.0

Ta Tc P P