data_CaSn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn2Te
_chemical_formula_sum   'Ca1 Sn2 Te1'
_cell_volume   115.04
_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
  Sn  Sn1  1  0.74  0.95  0.12  1.0
  Sn  Sn2  1  0.74  0.05  0.12  1.0
  Te  Te3  1  0.48  0.0  0.0  1.0

data_CaSn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   96.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn2Te
_chemical_formula_sum   'Ca1 Sn2 Te1'
_cell_volume   115.04
_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
  Sn  Sn1  1  0.12  0.74  0.05  1.0
  Sn  Sn2  1  0.12  0.74  0.95  1.0
  Te  Te3  1  -0.0  0.48  0.0  1.0

Ca Sn Sn Te