# generated using pymatgen
data_CaSmMn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23824719
_cell_length_b   5.23820057
_cell_length_c   7.42294767
_cell_angle_alpha   90.00001518
_cell_angle_beta   90.00001500
_cell_angle_gamma   90.00005885
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSmMn4O12
_chemical_formula_sum   'Ca1 Sm1 Mn4 O12'
_cell_volume   203.67818256
_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  0.50000000  0.50000000  -0.00000000  1.0
  Sm  Sm1  1  -0.00000000  -0.00000000  0.50000000  1.0
  Mn  Mn2  1  0.00000018  0.49999977  0.75290970  1.0
  Mn  Mn3  1  0.99999982  0.50000023  0.24709030  1.0
  Mn  Mn4  1  0.49999947  0.99999974  0.75292152  1.0
  Mn  Mn5  1  0.50000053  0.00000026  0.24707848  1.0
  O  O6  1  0.24590492  0.24595794  0.74346815  1.0
  O  O7  1  0.24590473  0.24595693  0.25653187  1.0
  O  O8  1  0.75409527  0.75404307  0.74346813  1.0
  O  O9  1  0.75409508  0.75404206  0.25653185  1.0
  O  O10  1  0.75409460  0.24595840  0.74346841  1.0
  O  O11  1  0.75409494  0.24595729  0.25653165  1.0
  O  O12  1  0.24590506  0.75404271  0.74346835  1.0
  O  O13  1  0.24590540  0.75404160  0.25653159  1.0
  O  O14  1  -0.00000000  0.50000000  0.50000000  1.0
  O  O15  1  -0.00000000  0.50000000  -0.00000000  1.0
  O  O16  1  0.50000000  -0.00000000  0.50000000  1.0
  O  O17  1  0.50000000  -0.00000000  -0.00000000  1.0