data_ZrTaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   133.7
_cell_angle_beta   133.7
_cell_angle_gamma   67.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaTe2
_chemical_formula_sum   'Zr1 Ta1 Te2'
_cell_volume   89.1
_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
  Ta  Ta0  1  0.19  0.0  0.32  1.0
  Te  Te1  1  0.0  0.0  0.64  1.0
  Te  Te2  1  0.0  0.19  0.32  1.0

data_ZrTaTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.58
_cell_angle_alpha   113.15
_cell_angle_beta   113.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaTe2
_chemical_formula_sum   'Zr1 Ta1 Te2'
_cell_volume   89.1
_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
  Ta  Ta1  1  0.32  0.13  0.13  1.0
  Te  Te2  1  0.13  0.32  0.13  1.0
  Te  Te3  1  0.64  0.64  0.64  1.0

Zr Ta Te Te