data_ZrVCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.6
_cell_angle_alpha   116.54
_cell_angle_beta   116.54
_cell_angle_gamma   36.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVCr2
_chemical_formula_sum   'Zr1 V1 Cr2'
_cell_volume   58.59
_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  0.61  0.0  0.03  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.41  0.0  0.93  1.0
  Cr  Cr1  1  0.8  0.0  0.13  1.0

data_ZrVCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.6
_cell_length_c   4.94
_cell_angle_alpha   116.54
_cell_angle_beta   108.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVCr2
_chemical_formula_sum   'Zr1 V1 Cr2'
_cell_volume   58.59
_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  0.0  0.03  0.61  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.0  0.13  0.8  1.0
  Cr  Cr3  1  0.0  0.93  0.41  1.0

Zr V Cr Cr
Zr V Cr Cr 0 2 o o - 0 3 o o o 1 3 - o o 