data_LaMo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35
_cell_length_b   10.35
_cell_length_c   10.35
_cell_angle_alpha   16.02
_cell_angle_beta   16.02
_cell_angle_gamma   16.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMo2Os
_chemical_formula_sum   'La1 Mo2 Os1'
_cell_volume   73.61
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.37  1.0
  Mo  Mo2  1  0.0  0.0  0.28  1.0
  Os  Os3  1  0.0  0.0  0.32  1.0

data_LaMo2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   2.88
_cell_length_c   10.35
_cell_angle_alpha   90.0
_cell_angle_beta   99.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMo2Os
_chemical_formula_sum   'La2 Mo4 Os2'
_cell_volume   147.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  La  La0  2  0.0  0.0  0.0  1.0
  Mo  Mo1  2  0.0  0.0  0.63  1.0
  Mo  Mo2  2  0.0  0.0  0.72  1.0
  Os  Os3  2  0.0  0.0  0.68  1.0

La Mo Mo Os