data_TiV2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   2.66
_cell_angle_alpha   99.77
_cell_angle_beta   99.77
_cell_angle_gamma   119.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiV2Co
_chemical_formula_sum   'Ti1 V2 Co1'
_cell_volume   52.6
_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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.8  0.11  0.26  1.0
  V  V3  1  0.8  0.89  0.26  1.0
  Co  Co0  1  0.48  0.0  0.0  1.0

data_TiV2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.79
_cell_length_c   4.9
_cell_angle_alpha   115.58
_cell_angle_beta   99.77
_cell_angle_gamma   102.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiV2Co
_chemical_formula_sum   'Ti1 V2 Co1'
_cell_volume   52.6
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.15  0.89  0.69  1.0
  V  V2  1  0.36  0.11  0.91  1.0
  Co  Co3  1  0.0  0.0  0.48  1.0

Ti V V Co