data_Ca2GaOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.81
_cell_angle_alpha   100.56
_cell_angle_beta   100.56
_cell_angle_gamma   38.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2GaOs
_chemical_formula_sum   'Ca2 Ga1 Os1'
_cell_volume   89.76
_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  0.93  0.0  0.5  1.0
  Ca  Ca1  1  0.49  0.0  0.2  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.21  0.0  0.85  1.0

data_Ca2GaOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.05
_cell_length_c   5.81
_cell_angle_alpha   100.56
_cell_angle_beta   90.0
_cell_angle_gamma   109.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2GaOs
_chemical_formula_sum   'Ca2 Ga1 Os1'
_cell_volume   89.76
_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  0.07  0.5  1.0
  Ca  Ca1  1  0.0  0.51  0.8  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.79  0.15  1.0

Ca Ca Ga Os