data_[Ca2La2Mn2Cr2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.4552]
_cell_length_b [5.4894]
_cell_length_c [9.4585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CaLaMnCrO6]
_chemical_formula_sum '[Ca2 La2 Mn2 Cr2 O12]'
_cell_volume [231.0761]
_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  2  0.7593  0.2914  0.2500  1.0
  La  La1  2  0.2436  0.2194  0.7499  1.0
  Mn  Mn2  2  0.4991  0.2500  0.4994  1.0
  Cr  Cr3  2  0.0003  0.2497  0.0005  1.0
  O  O4  2  0.1761  0.0427  0.4586  1.0
  O  O5  2  0.2503  0.4719  0.9618  1.0
  O  O6  2  0.3353  0.2357  0.2557  1.0
  O  O7  2  0.6742  0.2686  0.7446  1.0
  O  O8  2  0.7472  0.0322  0.0420  1.0
  O  O9  2  0.8145  0.4627  0.5375  1.0
]