# generated using pymatgen
data_CaIn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44084390
_cell_length_b   5.83153215
_cell_length_c   7.40204639
_cell_angle_alpha   90.00001287
_cell_angle_beta   89.99999746
_cell_angle_gamma   112.51644771
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIn2Cu
_chemical_formula_sum   'Ca2 In4 Cu2'
_cell_volume   177.07761702
_cell_formula_units_Z   2
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  0.06736450  0.13501656  0.75000012  1.0
  Ca  Ca1  1  0.93263544  0.86498343  0.24999989  1.0
  In  In2  1  0.35593219  0.71161431  0.94853258  1.0
  In  In3  1  0.64406780  0.28838571  0.05146741  1.0
  In  In4  1  0.64406787  0.28838583  0.44853263  1.0
  In  In5  1  0.35593213  0.71161416  0.55146739  1.0
  Cu  Cu6  1  0.78406997  0.57055062  0.75000013  1.0
  Cu  Cu7  1  0.21593010  0.42944939  0.24999985  1.0