data_MgZn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   145.18
_cell_angle_beta   129.35
_cell_angle_gamma   62.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Re
_chemical_formula_sum   'Mg1 Zn2 Re1'
_cell_volume   65.89
_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  0.0  0.0  1.0
  Zn  Zn2  1  0.59  0.0  0.28  1.0
  Zn  Zn3  1  0.0  0.28  0.26  1.0
  Re  Re1  1  0.0  0.0  0.54  1.0

data_MgZn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.55
_cell_length_c   5.32
_cell_angle_alpha   115.33
_cell_angle_beta   107.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Re
_chemical_formula_sum   'Mg1 Zn2 Re1'
_cell_volume   65.89
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.28  0.69  1.0
  Zn  Zn2  1  0.72  0.98  0.98  1.0
  Re  Re3  1  0.0  0.54  0.54  1.0

Mg Zn Zn Re