data_TaTc2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   4.15
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTc2P
_chemical_formula_sum   'Ta1 Tc2 P1'
_cell_volume   59.26
_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  Ta1  1  0.56  0.0  0.29  1.0
  Tc  Tc2  1  0.56  0.07  0.0  1.0
  Tc  Tc3  1  0.0  0.07  0.29  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_TaTc2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.15
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTc2P
_chemical_formula_sum   'Ta1 Tc2 P1'
_cell_volume   59.26
_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  0.56  0.0  0.29  1.0
  Tc  Tc1  1  0.0  0.07  0.29  1.0
  Tc  Tc2  1  0.56  0.07  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ta Tc Tc P
Ta Tc Tc P 0 1 o o o 0 2 + o o 1 3 + o o 2 3 o o o 