data_TeAs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   7.59
_cell_angle_alpha   90.63
_cell_angle_beta   90.63
_cell_angle_gamma   40.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAs2Cl
_chemical_formula_sum   'Te1 As2 Cl1'
_cell_volume   127.83
_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
  Te  Te3  1  0.58  0.0  0.36  1.0
  As  As0  1  0.44  0.0  0.36  1.0
  As  As1  1  0.33  0.0  0.96  1.0
  Cl  Cl2  1  0.81  0.0  0.29  1.0

data_TeAs2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.11
_cell_length_c   7.59
_cell_angle_alpha   90.63
_cell_angle_beta   90.0
_cell_angle_gamma   110.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAs2Cl
_chemical_formula_sum   'Te1 As2 Cl1'
_cell_volume   127.83
_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
  Te  Te0  1  0.0  0.42  0.64  1.0
  As  As1  1  0.0  0.56  0.64  1.0
  As  As2  1  0.0  0.67  0.04  1.0
  Cl  Cl3  1  0.0  0.19  0.71  1.0

Te As As Cl
Te As As Cl 0 1 o o o 0 2 o o - 0 3 o o o 1 2 o o - 2 2 + - o 2 3 - o + 2 3 o o + 