data_VCu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2Se
_chemical_formula_sum   'V1 Cu2 Se1'
_cell_volume   54.4
_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
  V  V3  1  0.0  0.0  0.54  1.0
  Cu  Cu0  1  0.08  0.0  0.81  1.0
  Cu  Cu1  1  0.0  0.0  0.62  1.0
  Se  Se2  1  0.08  0.0  0.81  1.0

data_VCu2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2Se
_chemical_formula_sum   'V1 Cu2 Se1'
_cell_volume   54.4
_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
  V  V0  1  0.0  0.0  0.54  1.0
  Cu  Cu1  1  0.0  0.0  0.62  1.0
  Cu  Cu2  1  0.08  0.0  0.81  1.0
  Se  Se3  1  0.08  0.0  0.81  1.0
