data_TlCrP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   144.7
_cell_angle_beta   120.92
_cell_angle_gamma   70.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrP2
_chemical_formula_sum   'Tl1 Cr1 P2'
_cell_volume   67.04
_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  Tl3  1  0.0  0.54  0.02  1.0
  Cr  Cr0  1  0.0  0.0  0.67  1.0
  P  P1  1  0.0  0.54  0.15  1.0
  P  P2  1  0.0  0.0  0.79  1.0

data_TlCrP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.09
_cell_length_c   5.16
_cell_angle_alpha   119.54
_cell_angle_beta   107.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrP2
_chemical_formula_sum   'Tl1 Cr1 P2'
_cell_volume   67.04
_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  0.46  0.48  0.48  1.0
  Cr  Cr1  1  0.0  0.67  0.67  1.0
  P  P2  1  0.0  0.79  0.79  1.0
  P  P3  1  0.46  0.6  0.6  1.0

Tl Cr P P
Tl Cr P P 0 2 o o o 1 3 o o o 