data_LaMg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.88
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   96.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Os
_chemical_formula_sum   'La1 Mg2 Os1'
_cell_volume   90.93
_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  0.71  0.0  0.09  1.0
  Mg  Mg1  1  0.13  0.94  0.45  1.0
  Mg  Mg2  1  0.51  0.0  0.11  1.0
  Os  Os3  1  0.81  0.94  0.3  1.0

data_LaMg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.88
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   96.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Os
_chemical_formula_sum   'La1 Mg2 Os1'
_cell_volume   90.93
_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  0.71  0.0  0.09  1.0
  Mg  Mg1  1  0.13  0.94  0.45  1.0
  Mg  Mg2  1  0.51  0.0  0.11  1.0
  Os  Os3  1  0.81  0.94  0.3  1.0

La Mg Mg Os
La Mg Mg Os 0 2 o o o 0 3 o - o 1 3 - o o 2 3 o - o 