data_ZrTeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   100.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTeAs2
_chemical_formula_sum   'Zr1 Te1 As2'
_cell_volume   105.67
_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  0.12  0.0  0.7  1.0
  Te  Te2  1  0.23  0.88  0.06  1.0
  As  As0  1  0.76  0.88  0.01  1.0
  As  As1  1  0.84  0.0  0.92  1.0

data_ZrTeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   100.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTeAs2
_chemical_formula_sum   'Zr1 Te1 As2'
_cell_volume   105.67
_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  0.12  0.0  0.7  1.0
  Te  Te1  1  0.23  0.88  0.06  1.0
  As  As2  1  0.76  0.88  0.01  1.0
  As  As3  1  0.84  0.0  0.92  1.0

Zr Te As As
Zr Te As As 0 3 - o o 1 3 - + - 1 2 - o o 1 2 o o o 2 3 o + - 