data_ZrCrTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   140.15
_cell_angle_beta   140.15
_cell_angle_gamma   57.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrTe
_chemical_formula_sum   'Zr1 Cr1 Te1'
_cell_volume   61.51
_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  Zr2  1  0.0  0.0  0.14  1.0
  Cr  Cr0  1  0.0  0.0  0.31  1.0
  Te  Te1  1  0.0  0.0  0.23  1.0

data_ZrCrTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   118.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCrTe
_chemical_formula_sum   'Zr2 Cr2 Te2'
_cell_volume   123.03
_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
  Zr  Zr0  2  0.14  0.0  0.14  1.0
  Cr  Cr1  2  0.31  0.0  0.31  1.0
  Te  Te2  2  0.23  0.0  0.23  1.0

Zr Cr Te