data_Tl2ZnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   120.65
_cell_angle_beta   119.35
_cell_angle_gamma   90.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnAs
_chemical_formula_sum   'Tl2 Zn1 As1'
_cell_volume   101.63
_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  Tl1  1  0.59  0.0  0.84  1.0
  Tl  Tl2  1  0.0  0.65  0.86  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.7  1.0

data_Tl2ZnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.19
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   60.65
_cell_angle_beta   60.32
_cell_angle_gamma   60.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnAs
_chemical_formula_sum   'Tl2 Zn1 As1'
_cell_volume   101.63
_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  0.41  0.84  1.0
  Tl  Tl1  1  0.65  0.0  0.22  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  As  As3  1  -0.0  0.0  0.7  1.0

Tl Tl Zn As