data_LaZn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   127.6
_cell_angle_beta   127.6
_cell_angle_gamma   77.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZn2Re
_chemical_formula_sum   'La1 Zn2 Re1'
_cell_volume   77.68
_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
  La  La0  1  0.0  0.0  0.93  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.22  0.0  0.97  1.0
  Re  Re1  1  0.0  0.22  0.97  1.0

data_LaZn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.03
_cell_angle_alpha   116.2
_cell_angle_beta   116.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZn2Re
_chemical_formula_sum   'La1 Zn2 Re1'
_cell_volume   77.68
_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
  La  La0  1  0.93  0.93  0.93  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.97  0.74  0.74  1.0
  Re  Re3  1  0.74  0.97  0.74  1.0

La Zn Zn Re
La Zn Zn Re 0 1 o o + 0 2 o o o 0 3 o o o 1 2 o o - 1 3 o o - 