data_Zr2TlOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   8.31
_cell_angle_alpha   97.81
_cell_angle_beta   97.81
_cell_angle_gamma   49.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlOs
_chemical_formula_sum   'Zr2 Tl1 Os1'
_cell_volume   90.98
_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  0.9  0.0  0.65  1.0
  Zr  Zr3  1  0.74  0.0  0.57  1.0
  Tl  Tl1  1  0.82  0.0  0.11  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0

data_Zr2TlOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.8
_cell_length_c   8.31
_cell_angle_alpha   97.81
_cell_angle_beta   90.0
_cell_angle_gamma   114.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlOs
_chemical_formula_sum   'Zr2 Tl1 Os1'
_cell_volume   90.98
_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  0.1  0.35  1.0
  Zr  Zr1  1  0.0  0.26  0.43  1.0
  Tl  Tl2  1  0.0  0.18  0.89  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

Zr Zr Tl Os