data_CaAs2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   4.41
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   106.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAs2Os
_chemical_formula_sum   'Ca1 As2 Os1'
_cell_volume   97.59
_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  Ca2  1  0.33  0.0  0.42  1.0
  As  As0  1  0.36  0.0  0.93  1.0
  As  As1  1  0.23  0.2  0.43  1.0
  Os  Os3  1  0.44  0.2  0.79  1.0

data_CaAs2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.41
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   106.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAs2Os
_chemical_formula_sum   'Ca1 As2 Os1'
_cell_volume   97.59
_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  0.33  0.0  0.42  1.0
  As  As1  1  0.23  0.2  0.43  1.0
  As  As2  1  0.36  0.0  0.93  1.0
  Os  Os3  1  0.44  0.2  0.79  1.0

Ca As As Os