data_Sr2CaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71
_cell_length_b   8.71
_cell_length_c   8.71
_cell_angle_alpha   156.94
_cell_angle_beta   144.94
_cell_angle_gamma   42.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaRe
_chemical_formula_sum   'Sr2 Ca1 Re1'
_cell_volume   148.52
_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
  Sr  Sr2  1  0.74  0.0  0.58  1.0
  Sr  Sr3  1  0.0  0.62  0.55  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.12  1.0

data_Sr2CaRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.25
_cell_length_c   8.71
_cell_angle_alpha   107.53
_cell_angle_beta   101.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaRe
_chemical_formula_sum   'Sr2 Ca1 Re1'
_cell_volume   148.52
_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
  Sr  Sr0  1  0.0  0.58  0.83  1.0
  Sr  Sr1  1  0.38  0.92  0.92  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.12  0.12  1.0

Sr Sr Ca Re