[CIF]
data_BaCaCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54505720
_cell_length_b   5.54505720
_cell_length_c   5.54505720
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaCu4
_chemical_formula_sum   'Ba1 Ca1 Cu4'
_cell_volume   120.55995971
_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  5.88142133  5.88142133  5.88142133  1
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu2  1  4.94389135  4.94389135  2.89800375  1
  Cu  Cu3  1  4.94389135  2.89800375  4.94389135  1
  Cu  Cu4  1  2.89800375  4.94389135  4.94389135  1
  Cu  Cu5  1  2.89800375  2.89800375  2.89800375  1
[/CIF]
