[CIF]
data_BaCaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46678758
_cell_length_b   7.46678758
_cell_length_c   7.46678758
_cell_angle_alpha   149.94482791
_cell_angle_beta   149.94482791
_cell_angle_gamma   43.02239545
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaFe
_chemical_formula_sum   'Ba1 Ca1 Fe1'
_cell_volume   104.14958234
_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
  Ba  Ba0  1  0.00000000  -0.00000000  13.47421466  1
  Ca  Ca1  1  0.00000000  0.00000000  9.86745276  1
  Fe  Fe2  1  -0.00000000  0.00000000  4.44511410  1
[/CIF]
