data_TlAgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   4.64
_cell_angle_alpha   105.19
_cell_angle_beta   105.19
_cell_angle_gamma   36.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAgMo2
_chemical_formula_sum   'Tl1 Ag1 Mo2'
_cell_volume   74.05
_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
  Tl  Tl3  1  0.39  0.0  0.23  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.51  0.0  0.55  1.0
  Mo  Mo2  1  0.26  0.0  0.91  1.0

data_TlAgMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.64
_cell_length_c   5.29
_cell_angle_alpha   105.19
_cell_angle_beta   108.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAgMo2
_chemical_formula_sum   'Tl1 Ag1 Mo2'
_cell_volume   74.05
_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
  Tl  Tl0  1  0.0  0.23  0.39  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.55  0.51  1.0
  Mo  Mo3  1  0.0  0.91  0.26  1.0

Tl Ag Mo Mo