data_CaZnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   3.92
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   103.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnTe2
_chemical_formula_sum   'Ca1 Zn1 Te2'
_cell_volume   120.1
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.22  0.0  0.65  1.0
  Te  Te1  1  0.91  0.96  0.81  1.0
  Te  Te2  1  0.53  0.96  0.49  1.0

data_CaZnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.19
_cell_length_c   7.51
_cell_angle_alpha   103.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnTe2
_chemical_formula_sum   'Ca1 Zn1 Te2'
_cell_volume   120.1
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.78  0.35  1.0
  Te  Te2  1  0.04  0.09  0.19  1.0
  Te  Te3  1  0.04  0.47  0.51  1.0

Ca Zn Te Te