data_ZrCr2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   142.57
_cell_angle_beta   131.35
_cell_angle_gamma   62.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCr2Te
_chemical_formula_sum   'Zr1 Cr2 Te1'
_cell_volume   65.96
_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  0.3  1.0
  Cr  Cr0  1  0.0  0.17  0.16  1.0
  Cr  Cr1  1  0.0  0.0  0.64  1.0
  Te  Te2  1  0.0  0.17  0.38  1.0

data_ZrCr2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.34
_cell_length_c   5.27
_cell_angle_alpha   114.33
_cell_angle_beta   108.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCr2Te
_chemical_formula_sum   'Zr1 Cr2 Te1'
_cell_volume   65.96
_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  0.3  0.3  1.0
  Cr  Cr1  1  0.0  0.64  0.64  1.0
  Cr  Cr2  1  0.83  0.99  0.99  1.0
  Te  Te3  1  0.83  0.2  0.2  1.0

Zr Cr Cr Te
Zr Cr Cr Te 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o - 2 3 o o o 