data_ZrCr8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   98.29
_cell_angle_beta   98.29
_cell_angle_gamma   135.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCr8
_chemical_formula_sum   'Zr1 Cr8'
_cell_volume   116.81
_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
  Zr  Zr8  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.59  0.0  1.0
  Cr  Cr1  1  0.0  0.79  0.0  1.0
  Cr  Cr2  1  0.79  0.0  0.0  1.0
  Cr  Cr3  1  0.34  0.66  0.14  1.0
  Cr  Cr4  1  0.34  0.34  0.14  1.0
  Cr  Cr5  1  0.59  0.0  0.0  1.0
  Cr  Cr6  1  0.35  0.35  0.0  1.0
  Cr  Cr7  1  0.66  0.34  0.14  1.0

data_ZrCr8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.29
_cell_length_b   10.44
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   112.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCr8
_chemical_formula_sum   'Zr2 Cr16'
_cell_volume   233.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Cr  Cr1  4  0.1  0.1  0.0  1.0
  Cr  Cr2  4  0.14  0.34  0.14  1.0
  Cr  Cr3  4  0.2  0.2  0.0  1.0
  Cr  Cr4  2  0.15  0.5  0.0  1.0
  Cr  Cr5  2  0.3  0.5  0.14  1.0

Zr Cr Cr Cr Cr Cr Cr Cr Cr