data_CaOsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   6.87
_cell_angle_alpha   155.99
_cell_angle_beta   155.99
_cell_angle_gamma   34.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaOsPd
_chemical_formula_sum   'Ca1 Os1 Pd1'
_cell_volume   53.61
_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
  Ca  Ca0  1  0.0  0.0  0.1  1.0
  Os  Os1  1  0.0  0.0  0.21  1.0
  Pd  Pd2  1  0.0  0.0  0.96  1.0

data_CaOsPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   107.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaOsPd
_chemical_formula_sum   'Ca2 Os2 Pd2'
_cell_volume   107.22
_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
  Ca  Ca0  2  0.1  0.0  0.1  1.0
  Os  Os1  2  0.21  0.0  0.21  1.0
  Pd  Pd2  2  0.46  0.5  0.96  1.0

Ca Os Pd