# generated using pymatgen
data_CaLaMnIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55003378
_cell_length_b   5.55003295
_cell_length_c   5.25547894
_cell_angle_alpha   58.12798045
_cell_angle_beta   58.12798293
_cell_angle_gamma   59.99999608
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaMnIr3
_chemical_formula_sum   'Ca1 La1 Mn1 Ir3'
_cell_volume   111.12249349
_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  0.99967405  0.99967405  0.00097686  1.0
  La  La1  1  0.24892879  0.24892879  0.25321362  1.0
  Mn  Mn2  1  0.62558031  0.62558031  0.12325907  1.0
  Ir  Ir3  1  0.62599656  0.62599656  0.62418315  1.0
  Ir  Ir4  1  0.12382473  0.62599656  0.62418315  1.0
  Ir  Ir5  1  0.62599656  0.12382473  0.62418315  1.0