data_ZrSi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.11
_cell_angle_alpha   91.44
_cell_angle_beta   91.44
_cell_angle_gamma   42.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSi2Te
_chemical_formula_sum   'Zr1 Si2 Te1'
_cell_volume   90.68
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Si  Si0  1  0.71  0.0  0.65  1.0
  Si  Si1  1  0.72  0.0  0.45  1.0
  Te  Te2  1  0.72  0.0  0.55  1.0

data_ZrSi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   5.11
_cell_length_c   5.13
_cell_angle_alpha   91.44
_cell_angle_beta   111.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSi2Te
_chemical_formula_sum   'Zr1 Si2 Te1'
_cell_volume   90.68
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.45  0.72  1.0
  Si  Si2  1  0.0  0.65  0.71  1.0
  Te  Te3  1  0.0  0.55  0.72  1.0

Zr Si Si Te