data_ZrTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   6.59
_cell_angle_alpha   110.67
_cell_angle_beta   110.67
_cell_angle_gamma   32.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTe
_chemical_formula_sum   'Zr3 Te3'
_cell_volume   148.3
_cell_formula_units_Z   3
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  0.95  0.0  0.37  1.0
  Zr  Zr4  1  0.11  0.0  0.21  1.0
  Zr  Zr5  1  0.7  0.0  0.64  1.0
  Te  Te0  1  0.05  0.0  0.03  1.0
  Te  Te1  1  0.73  0.0  0.84  1.0
  Te  Te2  1  0.08  0.0  0.41  1.0

data_ZrTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   6.59
_cell_length_c   6.71
_cell_angle_alpha   110.67
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTe
_chemical_formula_sum   'Zr3 Te3'
_cell_volume   148.3
_cell_formula_units_Z   3
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  0.21  0.11  1.0
  Zr  Zr1  1  0.0  0.37  0.95  1.0
  Zr  Zr2  1  0.0  0.64  0.7  1.0
  Te  Te3  1  0.0  0.03  0.05  1.0
  Te  Te4  1  0.0  0.41  0.08  1.0
  Te  Te5  1  0.0  0.84  0.73  1.0

Zr Zr Zr Te Te Te
Zr Zr Zr Te Te Te 0 5 + o o 1 3 o o o 2 4 o o o 