data_Ta2TlP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34
_cell_length_b   8.34
_cell_length_c   8.34
_cell_angle_alpha   22.56
_cell_angle_beta   22.56
_cell_angle_gamma   22.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TlP
_chemical_formula_sum   'Ta2 Tl1 P1'
_cell_volume   74.82
_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  0.0  0.0  0.87  1.0
  Ta  Ta2  1  0.0  0.0  0.49  1.0
  Tl  Tl3  1  0.0  0.0  0.18  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Ta2TlP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.65
_cell_length_b   3.26
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   103.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2TlP
_chemical_formula_sum   'Ta4 Tl2 P2'
_cell_volume   149.64
_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  0.13  1.0
  Ta  Ta1  2  0.0  0.0  0.51  1.0
  Tl  Tl2  2  0.0  0.0  0.82  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Ta Ta Tl P
Ta Ta Tl P 0 3 o o + 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 2 3 o o o 