data_Tl2CrP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrP
_chemical_formula_sum   'Tl2 Cr1 P1'
_cell_volume   91.36
_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  0.27  0.0  0.41  1.0
  Tl  Tl3  1  0.0  0.0  0.07  1.0
  Cr  Cr0  1  0.27  0.0  0.63  1.0
  P  P1  1  0.0  0.0  0.92  1.0

data_Tl2CrP
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Tl2CrP
_chemical_formula_sum   'Tl2 Cr1 P1'
_cell_volume   91.39
_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  0.0  0.0  0.07  1.0
  Tl  Tl1  1  0.27  0.0  0.41  1.0
  Cr  Cr2  1  0.27  0.0  0.63  1.0
  P  P3  1  0.0  0.0  0.92  1.0

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