data_ZrVCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   5.01
_cell_angle_alpha   113.79
_cell_angle_beta   113.79
_cell_angle_gamma   55.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVCo2
_chemical_formula_sum   'Zr1 V1 Co2'
_cell_volume   57.53
_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  0.37  0.0  0.23  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.7  0.0  0.66  1.0
  Co  Co1  1  0.05  0.0  0.8  1.0

data_ZrVCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.96
_cell_length_c   4.98
_cell_angle_alpha   67.02
_cell_angle_beta   68.36
_cell_angle_gamma   62.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVCo2
_chemical_formula_sum   'Zr1 V1 Co2'
_cell_volume   57.53
_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  0.14  0.23  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.0  0.03  0.66  1.0
  Co  Co3  1  0.0  0.25  0.8  1.0

Zr V Co Co
Zr V Co Co 0 1 o o o 1 3 o o - 2 3 + o o 