data_CaSb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   141.05
_cell_angle_beta   129.08
_cell_angle_gamma   65.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSb2Te
_chemical_formula_sum   'Ca1 Sb2 Te1'
_cell_volume   116.41
_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  0.87  1.0
  Sb  Sb1  1  0.08  0.0  0.33  1.0
  Sb  Sb2  1  0.0  0.0  0.51  1.0
  Te  Te3  1  0.08  0.0  0.98  1.0

data_CaSb2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   5.36
_cell_length_c   6.23
_cell_angle_alpha   115.46
_cell_angle_beta   109.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSb2Te
_chemical_formula_sum   'Ca1 Sb2 Te1'
_cell_volume   116.41
_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  0.87  0.87  1.0
  Sb  Sb1  1  0.0  0.33  0.25  1.0
  Sb  Sb2  1  0.0  0.51  0.51  1.0
  Te  Te3  1  0.0  0.98  0.9  1.0

Ca Sb Sb Te