data_[Sr2Ca4Te2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6981]
_cell_length_b [6.0501]
_cell_length_c [10.0110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrCa2TeO6]
_chemical_formula_sum '[Sr2 Ca4 Te2 O12]'
_cell_volume [286.7300]
_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
[
  Sr  Sr0  2  0.5000  0.0000  0.0000  1.0
  Ca  Ca1  4  0.2812  0.5424  0.7709  1.0
  Te  Te2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0910  0.5922  0.2125  1.0
  O  O4  4  0.2519  0.2402  0.0959  1.0
  O  O5  4  0.3226  0.6634  0.0344  1.0
]