[CIF]
data_CaV2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89882036
_cell_length_b   9.89882036
_cell_length_c   9.89882036
_cell_angle_alpha   16.10041024
_cell_angle_beta   16.10041024
_cell_angle_gamma   16.10041024
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaV2Cu
_chemical_formula_sum   'Ca1 V2 Cu1'
_cell_volume   65.02737974
_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
  Ca  Ca0  1  -0.00000000  -0.00000000  -0.00000000  1
  Cu  Cu1  1  0.00000000  0.00000000  14.65281474  1
  V  V2  1  -0.00000000  -0.00000000  7.04245868  1
  V  V3  1  0.00000000  0.00000000  22.26317079  1
[/CIF]
