# generated using pymatgen
data_Ca2In3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77104100
_cell_length_b   6.17682581
_cell_length_c   6.11748856
_cell_angle_alpha   93.51540329
_cell_angle_beta   112.95144258
_cell_angle_gamma   67.28144164
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2In3Cu
_chemical_formula_sum   'Ca2 In3 Cu1'
_cell_volume   152.28129736
_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  0.74997400  0.70903000  0.20897700  1.0
  Ca  Ca1  1  0.24966800  0.29507200  0.79440800  1.0
  In  In2  1  0.46100000  0.68134900  0.60335000  1.0
  In  In3  1  0.05170400  0.13077900  0.23418600  1.0
  In  In4  1  0.93726800  0.90362900  0.77816600  1.0
  Cu  Cu5  1  0.55038600  0.28014100  0.38091200  1.0