data_NaTlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   143.51
_cell_angle_beta   143.51
_cell_angle_gamma   52.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlCr
_chemical_formula_sum   'Na1 Tl1 Cr1'
_cell_volume   73.05
_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  Na1  1  0.0  0.0  0.54  1.0
  Tl  Tl2  1  0.0  0.0  0.9  1.0
  Cr  Cr0  1  0.0  0.0  0.18  1.0

data_NaTlCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   116.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTlCr
_chemical_formula_sum   'Na2 Tl2 Cr2'
_cell_volume   146.09
_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+1/2, y+1/2, z'
  4  '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
  Na  Na0  2  0.04  0.5  0.54  1.0
  Tl  Tl1  2  0.4  0.5  0.9  1.0
  Cr  Cr2  2  0.18  0.0  0.18  1.0

Na Tl Cr