data_BaMo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   149.7
_cell_angle_beta   125.22
_cell_angle_gamma   63.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMo2Os
_chemical_formula_sum   'Ba1 Mo2 Os1'
_cell_volume   81.8
_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
  Ba  Ba0  1  0.0  0.0  0.49  1.0
  Mo  Mo1  1  0.0  0.69  0.59  1.0
  Mo  Mo2  1  0.0  0.0  0.44  1.0
  Os  Os3  1  0.0  0.69  0.38  1.0

data_BaMo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.38
_cell_length_c   5.85
_cell_angle_alpha   117.39
_cell_angle_beta   105.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMo2Os
_chemical_formula_sum   'Ba1 Mo2 Os1'
_cell_volume   81.8
_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
  Ba  Ba0  1  0.51  0.51  0.51  1.0
  Mo  Mo1  1  0.41  0.1  0.1  1.0
  Mo  Mo2  1  0.56  0.56  0.56  1.0
  Os  Os3  1  0.62  0.32  0.32  1.0

Ba Mo Mo Os