# generated using pymatgen
data_Ca2La7Ir6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71643210
_cell_length_b   7.71643094
_cell_length_c   7.71643212
_cell_angle_alpha   70.17292743
_cell_angle_beta   70.17292611
_cell_angle_gamma   70.17292163
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2La7Ir6
_chemical_formula_sum   'Ca2 La7 Ir6'
_cell_volume   393.34560172
_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  0.99688778  0.99688778  0.99688778  1.0
  Ca  Ca1  1  0.80412833  0.80412833  0.80412833  1.0
  La  La2  1  0.19313486  0.19313486  0.19313486  1.0
  La  La3  1  0.14220583  0.39765195  0.67916414  1.0
  La  La4  1  0.67916414  0.14220583  0.39765195  1.0
  La  La5  1  0.39765195  0.67916414  0.14220583  1.0
  La  La6  1  0.85365025  0.61048029  0.32021090  1.0
  La  La7  1  0.32021090  0.85365025  0.61048029  1.0
  La  La8  1  0.61048029  0.32021090  0.85365025  1.0
  Ir  Ir9  1  0.95116272  0.18805505  0.57580243  1.0
  Ir  Ir10  1  0.57580243  0.95116272  0.18805505  1.0
  Ir  Ir11  1  0.18805505  0.57580243  0.95116272  1.0
  Ir  Ir12  1  0.05490616  0.82090950  0.41164680  1.0
  Ir  Ir13  1  0.41164680  0.05490616  0.82090950  1.0
  Ir  Ir14  1  0.82090950  0.41164680  0.05490616  1.0