data_MgReSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.4
_cell_angle_alpha   98.54
_cell_angle_beta   98.54
_cell_angle_gamma   39.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgReSb2
_chemical_formula_sum   'Mg1 Re1 Sb2'
_cell_volume   86.87
_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  0.38  0.0  0.69  1.0
  Re  Re1  1  0.78  0.0  0.91  1.0
  Sb  Sb2  1  0.46  0.0  0.94  1.0
  Sb  Sb3  1  0.9  0.0  0.78  1.0

data_MgReSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.03
_cell_length_c   5.4
_cell_angle_alpha   98.54
_cell_angle_beta   90.0
_cell_angle_gamma   110.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgReSb2
_chemical_formula_sum   'Mg1 Re1 Sb2'
_cell_volume   86.87
_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  0.62  0.31  1.0
  Re  Re1  1  0.0  0.22  0.09  1.0
  Sb  Sb2  1  0.0  0.1  0.22  1.0
  Sb  Sb3  1  0.0  0.54  0.06  1.0

Mg Re Sb Sb