# generated using pymatgen
data_CaLa3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83737288
_cell_length_b   7.83737288
_cell_length_c   7.83737279
_cell_angle_alpha   90.72039373
_cell_angle_beta   90.72039373
_cell_angle_gamma   90.72038665
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa3Mn4O12
_chemical_formula_sum   'Ca2 La6 Mn8 O24'
_cell_volume   481.29090880
_cell_formula_units_Z   2
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  0.75000000  0.75000000  0.75000000  1.0
  Ca  Ca1  1  0.25000000  0.25000000  0.25000000  1.0
  La  La2  1  0.75000000  0.24958400  0.25041600  1.0
  La  La3  1  0.24958400  0.25041600  0.75000000  1.0
  La  La4  1  0.75041600  0.74958400  0.25000000  1.0
  La  La5  1  0.25041600  0.75000000  0.24958400  1.0
  La  La6  1  0.74958400  0.25000000  0.75041600  1.0
  La  La7  1  0.25000000  0.75041600  0.74958400  1.0
  Mn  Mn8  1  0.00000000  0.50000000  0.00000000  1.0
  Mn  Mn9  1  0.50000000  0.00000000  0.00000000  1.0
  Mn  Mn10  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn11  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn12  1  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn13  1  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn14  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn15  1  0.50000000  0.00000000  0.50000000  1.0
  O  O16  1  0.25000000  0.03337000  0.46663000  1.0
  O  O17  1  0.53506100  0.24966000  0.47020800  1.0
  O  O18  1  0.75034000  0.52979200  0.46493900  1.0
  O  O19  1  0.03381700  0.75000000  0.46618300  1.0
  O  O20  1  0.52979200  0.46493900  0.75034000  1.0
  O  O21  1  0.96663000  0.53337000  0.75000000  1.0
  O  O22  1  0.25000000  0.53381700  0.96618300  1.0
  O  O23  1  0.03506100  0.97020800  0.74966000  1.0
  O  O24  1  0.53337000  0.75000000  0.96663000  1.0
  O  O25  1  0.46618300  0.03381700  0.75000000  1.0
  O  O26  1  0.97020800  0.74966000  0.03506100  1.0
  O  O27  1  0.25034000  0.96493900  0.02979200  1.0
  O  O28  1  0.74966000  0.03506100  0.97020800  1.0
  O  O29  1  0.02979200  0.25034000  0.96493900  1.0
  O  O30  1  0.53381700  0.96618300  0.25000000  1.0
  O  O31  1  0.46663000  0.25000000  0.03337000  1.0
  O  O32  1  0.96493900  0.02979200  0.25034000  1.0
  O  O33  1  0.75000000  0.46618300  0.03381700  1.0
  O  O34  1  0.03337000  0.46663000  0.25000000  1.0
  O  O35  1  0.47020800  0.53506100  0.24966000  1.0
  O  O36  1  0.96618300  0.25000000  0.53381700  1.0
  O  O37  1  0.24966000  0.47020800  0.53506100  1.0
  O  O38  1  0.46493900  0.75034000  0.52979200  1.0
  O  O39  1  0.75000000  0.96663000  0.53337000  1.0