data_Ca2ReSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   5.45
_cell_angle_alpha   110.44
_cell_angle_beta   110.44
_cell_angle_gamma   33.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ReSn
_chemical_formula_sum   'Ca2 Re1 Sn1'
_cell_volume   101.0
_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  0.42  0.0  0.86  1.0
  Ca  Ca1  1  0.45  0.0  0.55  1.0
  Re  Re2  1  0.13  0.0  0.5  1.0
  Sn  Sn3  1  0.96  0.0  0.78  1.0

data_Ca2ReSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.45
_cell_length_c   6.04
_cell_angle_alpha   110.44
_cell_angle_beta   106.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ReSn
_chemical_formula_sum   'Ca2 Re1 Sn1'
_cell_volume   101.0
_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  0.55  0.45  1.0
  Ca  Ca1  1  0.0  0.86  0.42  1.0
  Re  Re2  1  0.0  0.5  0.13  1.0
  Sn  Sn3  1  0.0  0.78  0.96  1.0

Ca Ca Re Sn