data_ZrMnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   144.71
_cell_angle_beta   127.44
_cell_angle_gamma   64.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnCr2
_chemical_formula_sum   'Zr1 Mn1 Cr2'
_cell_volume   55.49
_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  Zr3  1  0.51  0.0  0.08  1.0
  Mn  Mn2  1  0.0  0.0  0.27  1.0
  Cr  Cr0  1  0.0  0.0  0.32  1.0
  Cr  Cr1  1  0.0  0.2  0.1  1.0

data_ZrMnCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.4
_cell_length_c   4.97
_cell_angle_alpha   116.28
_cell_angle_beta   107.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnCr2
_chemical_formula_sum   'Zr1 Mn1 Cr2'
_cell_volume   55.49
_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  Zr0  1  0.42  0.92  0.42  1.0
  Mn  Mn1  1  0.73  0.73  0.73  1.0
  Cr  Cr2  1  0.68  0.68  0.68  1.0
  Cr  Cr3  1  0.9  0.1  0.1  1.0

Zr Mn Cr Cr
Zr Mn Cr Cr 0 3 o o o 0 2 + o o 0 1 + o o 1 2 o o o 1 3 o o o 2 3 o o o 