data_MnReOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   147.21
_cell_angle_beta   130.09
_cell_angle_gamma   61.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReOs2
_chemical_formula_sum   'Mn1 Re1 Os2'
_cell_volume   56.81
_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
  Mn  Mn0  1  0.0  0.0  0.68  1.0
  Re  Re3  1  0.0  0.18  0.19  1.0
  Os  Os1  1  0.0  0.18  0.26  1.0
  Os  Os2  1  0.0  0.0  0.25  1.0

data_MnReOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.36
_cell_length_c   5.17
_cell_angle_alpha   114.95
_cell_angle_beta   106.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReOs2
_chemical_formula_sum   'Mn1 Re1 Os2'
_cell_volume   56.81
_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
  Mn  Mn0  1  0.32  0.32  0.32  1.0
  Re  Re1  1  0.81  1.0  1.0  1.0
  Os  Os2  1  0.74  0.92  0.92  1.0
  Os  Os3  1  0.75  0.75  0.75  1.0

Mn Re Os Os