data_CaZn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   142.31
_cell_angle_beta   142.31
_cell_angle_gamma   54.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Te
_chemical_formula_sum   'Ca1 Zn2 Te1'
_cell_volume   104.71
_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  Zn2  1  0.0  0.12  0.92  1.0
  Zn  Zn3  1  0.12  0.0  0.92  1.0
  Te  Te1  1  0.0  0.0  0.83  1.0

data_CaZn2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   117.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaZn2Te
_chemical_formula_sum   'Ca2 Zn4 Te2'
_cell_volume   209.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Zn  Zn1  4  0.36  0.44  0.8  1.0
  Te  Te2  2  0.33  0.5  0.83  1.0

Ca Zn Zn Te