data_Mn2OsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.62
_cell_angle_alpha   100.29
_cell_angle_beta   100.29
_cell_angle_gamma   34.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2OsW
_chemical_formula_sum   'Mn2 Os1 W1'
_cell_volume   53.73
_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  0.51  0.0  0.33  1.0
  Mn  Mn1  1  0.38  0.0  0.21  1.0
  Os  Os2  1  0.95  0.0  0.27  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Mn2OsW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.58
_cell_length_c   4.62
_cell_angle_alpha   100.29
_cell_angle_beta   90.0
_cell_angle_gamma   107.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2OsW
_chemical_formula_sum   'Mn2 Os1 W1'
_cell_volume   53.73
_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  0.49  0.67  1.0
  Mn  Mn1  1  0.0  0.62  0.79  1.0
  Os  Os2  1  0.0  0.05  0.73  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Mn Mn Os W
Mn Mn Os W 0 1 o o o 2 3 + o o 