data_ZrMnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   2.8
_cell_angle_alpha   102.33
_cell_angle_beta   102.33
_cell_angle_gamma   116.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnOs2
_chemical_formula_sum   'Zr1 Mn1 Os2'
_cell_volume   62.71
_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  0.74  0.0  0.0  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.8  0.24  0.28  1.0
  Os  Os2  1  0.8  0.76  0.28  1.0

data_ZrMnOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.04
_cell_length_c   5.25
_cell_angle_alpha   116.79
_cell_angle_beta   102.33
_cell_angle_gamma   96.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnOs2
_chemical_formula_sum   'Zr1 Mn1 Os2'
_cell_volume   62.71
_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  0.74  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.04  0.76  0.56  1.0
  Os  Os3  1  0.51  0.24  0.04  1.0

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