data_TlCrP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.28
_cell_length_c   4.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrP2
_chemical_formula_sum   'Tl1 Cr1 P2'
_cell_volume   74.1
_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  0.14  0.15  1.0
  Cr  Cr0  1  0.01  0.14  0.0  1.0
  P  P1  1  0.01  0.0  0.15  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TlCrP2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.28
_cell_length_b   4.02
_cell_length_c   4.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TlCrP2
_chemical_formula_sum   'Tl1 Cr1 P2'
_cell_volume   74.1
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.14  0.0  0.15  1.0
  Cr  Cr1  1  0.14  0.0  -0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.15  1.0

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