data_NaTlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   149.16
_cell_angle_beta   128.43
_cell_angle_gamma   61.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlMo
_chemical_formula_sum   'Na1 Tl1 Mo1'
_cell_volume   64.15
_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  0.25  1.0
  Tl  Tl2  1  0.0  0.0  0.19  1.0
  Mo  Mo0  1  0.0  0.0  0.28  1.0

data_NaTlMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.73
_cell_length_c   5.44
_cell_angle_alpha   115.78
_cell_angle_beta   105.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlMo
_chemical_formula_sum   'Na1 Tl1 Mo1'
_cell_volume   64.15
_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  0.25  0.25  1.0
  Tl  Tl1  1  0.0  0.19  0.19  1.0
  Mo  Mo2  1  0.0  0.28  0.28  1.0

Na Tl Mo