data_ZrMnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.98
_cell_angle_alpha   102.88
_cell_angle_beta   102.88
_cell_angle_gamma   36.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnOs2
_chemical_formula_sum   'Zr1 Mn1 Os2'
_cell_volume   63.81
_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  0.88  0.0  0.42  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.42  0.0  0.81  1.0
  Os  Os2  1  0.34  0.0  0.03  1.0

data_ZrMnOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.7
_cell_length_c   4.98
_cell_angle_alpha   102.88
_cell_angle_beta   90.0
_cell_angle_gamma   108.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnOs2
_chemical_formula_sum   'Zr1 Mn1 Os2'
_cell_volume   63.81
_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  0.12  0.58  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.58  0.19  1.0
  Os  Os3  1  0.0  0.66  0.97  1.0

Zr Mn Os Os