data_Ca2SnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   4.44
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SnOs
_chemical_formula_sum   'Ca2 Sn1 Os1'
_cell_volume   91.54
_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
  Ca  Ca0  1  0.56  0.22  0.77  1.0
  Ca  Ca1  1  0.56  0.22  0.86  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.31  1.0

data_Ca2SnOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.44
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SnOs
_chemical_formula_sum   'Ca2 Sn1 Os1'
_cell_volume   91.54
_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
  Ca  Ca0  1  0.56  0.22  0.77  1.0
  Ca  Ca1  1  0.56  0.22  0.86  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.31  1.0

Ca Ca Sn Os
Ca Ca Sn Os 0 1 o o o 0 2 + o + 1 2 + o + 1 2 o o + 2 3 o o o 