data_TaTeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.7
_cell_length_b   8.7
_cell_length_c   8.7
_cell_angle_alpha   21.8
_cell_angle_beta   21.8
_cell_angle_gamma   21.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTeP2
_chemical_formula_sum   'Ta1 Te1 P2'
_cell_volume   79.54
_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  0.0  0.73  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  P  P0  1  0.0  0.0  0.9  1.0
  P  P1  1  0.0  0.0  0.56  1.0

data_TaTeP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   3.29
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   102.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTeP2
_chemical_formula_sum   'Ta2 Te2 P4'
_cell_volume   159.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.27  1.0
  Te  Te1  2  0.0  0.0  0.0  1.0
  P  P2  2  0.0  0.0  0.1  1.0
  P  P3  2  0.0  0.0  0.44  1.0

Ta Te P P
Ta Te P P 0 3 o o o 0 2 o o o 1 2 o o - 