data_CaSb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88
_cell_length_b   7.88
_cell_length_c   7.88
_cell_angle_alpha   154.23
_cell_angle_beta   151.62
_cell_angle_gamma   38.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSb2Mo
_chemical_formula_sum   'Ca1 Sb2 Mo1'
_cell_volume   101.03
_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  0.64  1.0
  Sb  Sb2  1  0.0  0.0  0.02  1.0
  Sb  Sb3  1  0.0  0.93  0.13  1.0
  Mo  Mo1  1  0.76  0.0  0.08  1.0

data_CaSb2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.86
_cell_length_c   7.88
_cell_angle_alpha   104.19
_cell_angle_beta   102.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSb2Mo
_chemical_formula_sum   'Ca1 Sb2 Mo1'
_cell_volume   101.03
_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  0.64  0.64  1.0
  Sb  Sb1  1  0.0  0.02  0.02  1.0
  Sb  Sb2  1  0.07  0.2  0.2  1.0
  Mo  Mo3  1  0.0  0.08  0.32  1.0

Ca Sb Sb Mo