data_ZrVCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.71
_cell_length_c   2.93
_cell_angle_alpha   75.84
_cell_angle_beta   74.52
_cell_angle_gamma   29.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVCo
_chemical_formula_sum   'Zr1 V1 Co1'
_cell_volume   45.87
_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  Zr2  1  0.02  0.12  0.55  1.0
  V  V1  1  0.02  0.12  0.82  1.0
  Co  Co0  1  0.02  0.12  0.31  1.0

data_ZrVCo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.05
_cell_length_b   10.68
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   133.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrVCo
_chemical_formula_sum   'Zr2 V2 Co2'
_cell_volume   91.74
_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  0.02  0.0  0.58  1.0
  V  V1  2  0.02  0.0  0.84  1.0
  Co  Co2  2  0.02  0.0  0.34  1.0

Zr V Co
Zr V Co 0 2 o o o 0 1 o o o 