data_BeSnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   148.51
_cell_angle_beta   148.51
_cell_angle_gamma   45.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnTe
_chemical_formula_sum   'Be1 Sn1 Te1'
_cell_volume   72.12
_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
  Be  Be0  1  0.0  0.0  0.34  1.0
  Sn  Sn1  1  0.0  0.0  0.29  1.0
  Te  Te2  1  0.0  0.0  0.23  1.0

data_BeSnTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   112.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeSnTe
_chemical_formula_sum   'Be2 Sn2 Te2'
_cell_volume   144.23
_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
  Be  Be0  2  0.34  0.0  0.34  1.0
  Sn  Sn1  2  0.29  0.0  0.29  1.0
  Te  Te2  2  0.23  0.0  0.23  1.0

Be Sn Te
Be Sn Te 0 1 o o o 1 2 o o o 