data_BaMg2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   6.61
_cell_angle_alpha   95.72
_cell_angle_beta   95.72
_cell_angle_gamma   33.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2Re
_chemical_formula_sum   'Ba1 Mg2 Re1'
_cell_volume   96.82
_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  0.0  1.0
  Mg  Mg1  1  0.82  0.0  0.45  1.0
  Mg  Mg2  1  0.34  0.0  0.12  1.0
  Re  Re3  1  0.58  0.0  0.28  1.0

data_BaMg2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.15
_cell_length_c   6.61
_cell_angle_alpha   95.72
_cell_angle_beta   90.0
_cell_angle_gamma   106.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2Re
_chemical_formula_sum   'Ba1 Mg2 Re1'
_cell_volume   96.82
_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  0.0  1.0
  Mg  Mg1  1  0.0  0.18  0.55  1.0
  Mg  Mg2  1  0.0  0.66  0.88  1.0
  Re  Re3  1  0.0  0.42  0.72  1.0

Ba Mg Mg Re