data_CaYOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   148.92
_cell_angle_beta   131.08
_cell_angle_gamma   59.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYOs2
_chemical_formula_sum   'Ca1 Y1 Os2'
_cell_volume   81.64
_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  0.0  0.0  0.42  1.0
  Y  Y3  1  0.0  0.47  0.21  1.0
  Os  Os1  1  0.0  0.47  0.88  1.0
  Os  Os2  1  0.0  0.0  0.03  1.0

data_CaYOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.93
_cell_length_c   5.96
_cell_angle_alpha   114.46
_cell_angle_beta   105.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYOs2
_chemical_formula_sum   'Ca1 Y1 Os2'
_cell_volume   81.64
_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  0.0  0.42  0.42  1.0
  Y  Y1  1  0.53  0.74  0.74  1.0
  Os  Os2  1  0.0  0.03  0.03  1.0
  Os  Os3  1  0.53  0.42  0.42  1.0

Ca Y Os Os