data_MgRe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   3.96
_cell_angle_alpha   93.02
_cell_angle_beta   93.02
_cell_angle_gamma   28.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRe2Cl
_chemical_formula_sum   'Mg1 Re2 Cl1'
_cell_volume   70.19
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.42  0.0  0.88  1.0
  Re  Re3  1  0.26  0.0  0.08  1.0
  Cl  Cl0  1  0.84  0.0  0.98  1.0

data_MgRe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.96
_cell_length_c   6.13
_cell_angle_alpha   93.02
_cell_angle_beta   104.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRe2Cl
_chemical_formula_sum   'Mg1 Re2 Cl1'
_cell_volume   70.19
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.08  0.26  1.0
  Re  Re2  1  0.0  0.88  0.42  1.0
  Cl  Cl3  1  0.0  0.98  0.84  1.0

Mg Re Re Cl