data_MgCoRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12
_cell_length_b   9.12
_cell_length_c   9.12
_cell_angle_alpha   17.2
_cell_angle_beta   17.2
_cell_angle_gamma   17.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCoRe2
_chemical_formula_sum   'Mg1 Co1 Re2'
_cell_volume   57.81
_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
  Co  Co0  1  0.0  0.0  0.47  1.0
  Re  Re2  1  0.0  0.0  0.54  1.0
  Re  Re3  1  0.0  0.0  0.4  1.0

data_MgCoRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   2.73
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   99.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgCoRe2
_chemical_formula_sum   'Mg2 Co2 Re4'
_cell_volume   115.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.53  1.0
  Re  Re2  2  -0.0  0.0  0.46  1.0
  Re  Re3  2  0.0  0.0  0.6  1.0

Mg Co Re Re