data_TlCoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   141.68
_cell_angle_beta   126.35
_cell_angle_gamma   67.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoMo2
_chemical_formula_sum   'Tl1 Co1 Mo2'
_cell_volume   65.21
_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  0.0  0.3  0.1  1.0
  Co  Co0  1  0.0  0.0  0.47  1.0
  Mo  Mo1  1  0.0  0.3  0.17  1.0
  Mo  Mo2  1  0.0  0.0  0.95  1.0

data_TlCoMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.6
_cell_length_c   5.1
_cell_angle_alpha   116.82
_cell_angle_beta   109.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoMo2
_chemical_formula_sum   'Tl1 Co1 Mo2'
_cell_volume   65.21
_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  0.7  0.8  0.8  1.0
  Co  Co1  1  0.0  0.47  0.47  1.0
  Mo  Mo2  1  0.0  0.95  0.95  1.0
  Mo  Mo3  1  0.7  0.86  0.86  1.0

Tl Co Mo Mo