data_Mg2ReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   142.18
_cell_angle_beta   134.79
_cell_angle_gamma   60.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ReSi
_chemical_formula_sum   'Mg2 Re1 Si1'
_cell_volume   62.44
_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  0.02  0.28  1.0
  Mg  Mg1  1  0.7  0.0  0.27  1.0
  Re  Re2  1  0.0  0.0  0.54  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Mg2ReSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.04
_cell_length_c   5.25
_cell_angle_alpha   112.61
_cell_angle_beta   108.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ReSi
_chemical_formula_sum   'Mg2 Re1 Si1'
_cell_volume   62.44
_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  0.27  0.56  1.0
  Mg  Mg1  1  0.98  0.26  0.26  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.54  0.54  1.0

Mg Mg Re Si