data_NaTlCr2
_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   128.58
_cell_angle_beta   127.61
_cell_angle_gamma   76.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlCr2
_chemical_formula_sum   'Na1 Tl1 Cr2'
_cell_volume   82.5
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.05  1.0
  Cr  Cr0  1  0.24  0.0  0.15  1.0
  Cr  Cr1  1  0.0  0.28  0.9  1.0

data_NaTlCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.55
_cell_length_c   5.16
_cell_angle_alpha   116.2
_cell_angle_beta   115.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlCr2
_chemical_formula_sum   'Na1 Tl1 Cr2'
_cell_volume   82.5
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.95  0.95  0.95  1.0
  Cr  Cr2  1  0.09  0.85  0.09  1.0
  Cr  Cr3  1  0.1  0.37  0.37  1.0

Na Tl Cr Cr