data_ZrTe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   7.01
_cell_angle_alpha   93.7
_cell_angle_beta   93.7
_cell_angle_gamma   42.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTe2Os
_chemical_formula_sum   'Zr1 Te2 Os1'
_cell_volume   119.86
_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  0.4  0.0  0.01  1.0
  Te  Te1  1  0.22  0.0  0.72  1.0
  Te  Te2  1  0.83  0.0  0.33  1.0
  Os  Os0  1  0.15  0.0  0.44  1.0

data_ZrTe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.01
_cell_length_c   7.01
_cell_angle_alpha   93.7
_cell_angle_beta   90.0
_cell_angle_gamma   111.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTe2Os
_chemical_formula_sum   'Zr1 Te2 Os1'
_cell_volume   119.86
_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  0.6  0.99  1.0
  Te  Te1  1  0.0  0.17  0.67  1.0
  Te  Te2  1  0.0  0.78  0.28  1.0
  Os  Os3  1  0.0  0.85  0.56  1.0

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