data_TlMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   7.35
_cell_angle_alpha   104.89
_cell_angle_beta   104.89
_cell_angle_gamma   59.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2P
_chemical_formula_sum   'Tl1 Mo2 P1'
_cell_volume   74.48
_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  0.97  0.0  0.51  1.0
  Mo  Mo0  1  0.09  0.0  0.18  1.0
  Mo  Mo1  1  0.85  0.0  0.84  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TlMo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   3.51
_cell_length_c   7.29
_cell_angle_alpha   77.12
_cell_angle_beta   76.23
_cell_angle_gamma   60.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2P
_chemical_formula_sum   'Tl1 Mo2 P1'
_cell_volume   74.48
_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  0.46  0.51  1.0
  Mo  Mo1  1  0.0  0.01  0.84  1.0
  Mo  Mo2  1  0.0  0.91  0.18  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Tl Mo Mo P