[CIF]
data_Ca2VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73425609
_cell_length_b   3.73425609
_cell_length_c   6.93000953
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2VFe
_chemical_formula_sum   'Ca2 V1 Fe1'
_cell_volume   96.63668591
_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  1.86712805  1.86712805  1.79731724  1
  Ca  Ca1  1  1.86712805  1.86712805  5.13269229  1
  Fe  Fe2  1  0.00000000  0.00000000  3.46500477  1
  V  V3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
