data_Ca2SnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   137.07
_cell_angle_beta   129.25
_cell_angle_gamma   68.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SnRu
_chemical_formula_sum   'Ca2 Sn1 Ru1'
_cell_volume   91.96
_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  0.41  0.55  1.0
  Ca  Ca1  1  0.06  0.0  0.09  1.0
  Sn  Sn3  1  0.0  0.0  0.64  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Ca2SnRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.82
_cell_length_c   5.62
_cell_angle_alpha   115.37
_cell_angle_beta   111.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SnRu
_chemical_formula_sum   'Ca2 Sn1 Ru1'
_cell_volume   91.96
_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  0.09  0.03  1.0
  Ca  Ca1  1  0.59  0.14  0.14  1.0
  Sn  Sn2  1  0.0  0.64  0.64  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Ca Ca Sn Ru