data_Cu2TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   6.43
_cell_angle_alpha   104.42
_cell_angle_beta   104.42
_cell_angle_gamma   55.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TeCl
_chemical_formula_sum   'Cu2 Te1 Cl1'
_cell_volume   75.56
_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
  Cu  Cu1  1  0.66  0.0  0.58  1.0
  Cu  Cu2  1  0.33  0.0  0.59  1.0
  Te  Te3  1  0.5  0.0  0.09  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Cu2TeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.85
_cell_length_c   6.43
_cell_angle_alpha   104.42
_cell_angle_beta   90.0
_cell_angle_gamma   117.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TeCl
_chemical_formula_sum   'Cu2 Te1 Cl1'
_cell_volume   75.56
_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
  Cu  Cu0  1  0.0  0.34  0.42  1.0
  Cu  Cu1  1  0.0  0.67  0.41  1.0
  Te  Te2  1  0.0  0.5  0.91  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cu Cu Te Cl