data_TlAs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   6.04
_cell_angle_alpha   112.51
_cell_angle_beta   112.51
_cell_angle_gamma   30.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAs2Pt
_chemical_formula_sum   'Tl1 As2 Pt1'
_cell_volume   92.54
_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  0.35  0.0  0.77  1.0
  As  As0  1  0.23  0.0  0.73  1.0
  As  As1  1  0.47  0.0  0.81  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0

data_TlAs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.75
_cell_length_c   6.04
_cell_angle_alpha   112.51
_cell_angle_beta   90.0
_cell_angle_gamma   105.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAs2Pt
_chemical_formula_sum   'Tl1 As2 Pt1'
_cell_volume   92.54
_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  0.65  0.23  1.0
  As  As1  1  0.0  0.53  0.19  1.0
  As  As2  1  0.0  0.77  0.27  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

Tl As As Pt