data_Zr2MnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   138.99
_cell_angle_beta   138.99
_cell_angle_gamma   59.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnOs
_chemical_formula_sum   'Zr2 Mn1 Os1'
_cell_volume   71.18
_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  0.0  0.0  0.78  1.0
  Zr  Zr3  1  0.0  0.93  0.39  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.93  0.0  0.39  1.0

data_Zr2MnOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   5.51
_cell_angle_alpha   110.5
_cell_angle_beta   110.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnOs
_chemical_formula_sum   'Zr2 Mn1 Os1'
_cell_volume   71.18
_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  0.46  0.39  0.46  1.0
  Zr  Zr1  1  0.78  0.78  0.78  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.39  0.46  0.46  1.0

Zr Zr Mn Os