data_ZrMn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   146.01
_cell_angle_beta   130.88
_cell_angle_gamma   61.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2Os
_chemical_formula_sum   'Zr1 Mn2 Os1'
_cell_volume   59.58
_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  0.0  0.0  0.72  1.0
  Mn  Mn0  1  0.53  0.0  0.14  1.0
  Mn  Mn1  1  0.0  0.0  0.29  1.0
  Os  Os2  1  0.53  0.0  0.34  1.0

data_ZrMn2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.34
_cell_length_c   5.22
_cell_angle_alpha   114.56
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2Os
_chemical_formula_sum   'Zr1 Mn2 Os1'
_cell_volume   59.58
_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  0.72  0.72  1.0
  Mn  Mn1  1  0.0  0.14  0.61  1.0
  Mn  Mn2  1  0.0  0.29  0.29  1.0
  Os  Os3  1  0.0  0.34  0.81  1.0

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