data_CaRe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   146.25
_cell_angle_beta   128.19
_cell_angle_gamma   63.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRe2Sb
_chemical_formula_sum   'Ca1 Re2 Sb1'
_cell_volume   79.58
_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  0.32  1.0
  Re  Re1  1  0.65  0.0  0.41  1.0
  Re  Re2  1  0.0  0.0  0.21  1.0
  Sb  Sb3  1  0.65  0.0  0.59  1.0

data_CaRe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.97
_cell_length_c   5.69
_cell_angle_alpha   115.91
_cell_angle_beta   106.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRe2Sb
_chemical_formula_sum   'Ca1 Re2 Sb1'
_cell_volume   79.58
_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  0.32  0.32  1.0
  Re  Re1  1  0.0  0.21  0.21  1.0
  Re  Re2  1  0.0  0.41  0.76  1.0
  Sb  Sb3  1  0.0  0.59  0.94  1.0

Ca Re Re Sb
Ca Re Re Sb 0 2 o o o 1 3 o o o 