data_BaMgRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   152.9
_cell_angle_beta   140.58
_cell_angle_gamma   48.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgRe
_chemical_formula_sum   'Ba1 Mg1 Re1'
_cell_volume   76.2
_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
  Ba  Ba0  1  0.0  0.0  0.6  1.0
  Mg  Mg1  1  0.0  0.0  0.35  1.0
  Re  Re2  1  0.0  0.0  0.46  1.0

data_BaMgRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.33
_cell_length_c   6.42
_cell_angle_alpha   109.71
_cell_angle_beta   103.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgRe
_chemical_formula_sum   'Ba1 Mg1 Re1'
_cell_volume   76.2
_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
  Ba  Ba0  1  0.4  0.4  0.4  1.0
  Mg  Mg1  1  0.65  0.65  0.65  1.0
  Re  Re2  1  0.54  0.54  0.54  1.0

Ba Mg Re