data_Tl2CoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CoP
_chemical_formula_sum   'Tl2 Co1 P1'
_cell_volume   79.03
_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  0.99  0.0  0.22  1.0
  Tl  Tl3  1  0.99  0.0  0.82  1.0
  Co  Co0  1  0.0  0.0  0.02  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Tl2CoP
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.97
_cell_length_b   4.95
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   Tl2CoP
_chemical_formula_sum   'Tl4 Co2 P2'
_cell_volume   158.07
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Tl  Tl0  2  0.0  0.0  0.18  1.0
  Tl  Tl1  2  0.0  0.0  0.78  1.0
  Co  Co2  2  0.0  0.0  0.98  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Tl Tl Co P