data_Y2ZrTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrTe
_chemical_formula_sum   'Y2 Zr1 Te1'
_cell_volume   106.7
_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
  Y  Y1  1  0.67  0.78  0.8  1.0
  Y  Y2  1  0.67  0.22  0.8  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Te  Te0  1  0.33  0.0  0.0  1.0

data_Y2ZrTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   106.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrTe
_chemical_formula_sum   'Y2 Zr1 Te1'
_cell_volume   106.7
_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
  Y  Y0  1  0.8  0.67  0.22  1.0
  Y  Y1  1  0.8  0.67  0.78  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  -0.0  0.33  0.0  1.0

Y Y Zr Te
Y Y Zr Te 0 1 o + o 0 2 + + + 1 3 o o + 2 3 o o o 