data_ZrTe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTe2Pt
_chemical_formula_sum   'Zr1 Te2 Pt1'
_cell_volume   85.19
_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
  Te  Te1  1  0.49  0.0  0.93  1.0
  Te  Te2  1  0.49  0.0  0.66  1.0
  Pt  Pt0  1  0.0  0.0  0.29  1.0

data_ZrTe2Pt
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   ZrTe2Pt
_chemical_formula_sum   'Zr1 Te2 Pt1'
_cell_volume   85.25
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Te  Te1  1  0.5  0.0  0.66  1.0
  Te  Te2  1  0.5  0.0  0.93  1.0
  Pt  Pt3  1  0.0  0.0  0.29  1.0

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