data_Ca2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   31.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2OsCl
_chemical_formula_sum   'Ca2 Os1 Cl1'
_cell_volume   88.46
_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  0.0  0.01  1.0
  Ca  Ca1  1  0.0  0.0  0.24  1.0
  Os  Os3  1  0.56  0.0  0.86  1.0
  Cl  Cl2  1  0.0  0.0  0.4  1.0

data_Ca2OsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.12
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   105.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2OsCl
_chemical_formula_sum   'Ca2 Os1 Cl1'
_cell_volume   88.46
_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  0.76  0.0  0.76  1.0
  Ca  Ca1  1  0.99  0.56  0.99  1.0
  Os  Os2  1  0.14  0.56  0.14  1.0
  Cl  Cl3  1  0.6  0.0  0.6  1.0

Ca Ca Os Cl