# generated using pymatgen
data_CaTmMnIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16005838
_cell_length_b   5.16006037
_cell_length_c   5.16005985
_cell_angle_alpha   63.72481080
_cell_angle_beta   63.72480439
_cell_angle_gamma   63.72480431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTmMnIr3
_chemical_formula_sum   'Ca1 Tm1 Mn1 Ir3'
_cell_volume   105.13910039
_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  0.00031502  0.00031502  0.00031502  1.0
  Tm  Tm1  1  0.25052261  0.25052261  0.25052261  1.0
  Mn  Mn2  1  0.62446897  0.62446897  0.62446897  1.0
  Ir  Ir3  1  0.62532220  0.62532220  0.12404399  1.0
  Ir  Ir4  1  0.62532220  0.12404399  0.62532220  1.0
  Ir  Ir5  1  0.12404399  0.62532220  0.62532220  1.0