data_CaTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTe
_chemical_formula_sum   'Ca2 Te2'
_cell_volume   131.93
_cell_formula_units_Z   2
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  0.83  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.23  0.29  0.75  1.0
  Te  Te3  1  0.0  0.57  0.92  1.0

data_CaTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTe
_chemical_formula_sum   'Ca2 Te2'
_cell_volume   131.93
_cell_formula_units_Z   2
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
  Ca  Ca1  1  0.0  0.0  0.83  1.0
  Te  Te2  1  -0.0  0.57  0.92  1.0
  Te  Te3  1  0.23  0.29  0.75  1.0

Ca Ca Te Te
Ca Ca Te Te 0 2 o o o 0 1 o o + 0 3 o - o 1 3 o - - 2 3 o o o 