[CIF]
data_CaZr2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45569859
_cell_length_b   3.45569859
_cell_length_c   7.88861057
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZr2Re
_chemical_formula_sum   'Ca1 Zr2 Re1'
_cell_volume   94.20462579
_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
  Ca  Ca0  1  0.00000000  0.00000000  4.27667375  1
  Re  Re1  1  1.72784929  1.72784929  6.31300118  1
  Zr  Zr2  1  0.00000000  0.00000000  7.61032942  1
  Zr  Zr3  1  1.72784929  1.72784929  1.52152207  1
[/CIF]
