data_Tl2CoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   153.06
_cell_angle_beta   142.47
_cell_angle_gamma   46.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CoP
_chemical_formula_sum   'Tl2 Co1 P1'
_cell_volume   90.76
_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
  Tl  Tl2  1  0.61  0.0  0.09  1.0
  Tl  Tl3  1  0.0  0.0  0.04  1.0
  Co  Co0  1  0.61  0.0  0.66  1.0
  P  P1  1  0.0  0.0  0.25  1.0

data_Tl2CoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.45
_cell_length_c   6.91
_cell_angle_alpha   108.77
_cell_angle_beta   103.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CoP
_chemical_formula_sum   'Tl2 Co1 P1'
_cell_volume   90.76
_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
  Tl  Tl0  1  0.0  0.04  0.04  1.0
  Tl  Tl1  1  0.0  0.09  0.48  1.0
  Co  Co2  1  0.0  0.66  0.05  1.0
  P  P3  1  0.0  0.25  0.25  1.0

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