data_[Ca2Mo2As2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.7578]
_cell_length_b [4.7578]
_cell_length_c [9.4566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CaMoAsO6]
_chemical_formula_sum '[Ca2 Mo2 As2 O12]'
_cell_volume [214.0681]
_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  0.0000  0.0000  0.9979  1
  Mo  Mo1  2  0.0000  0.0000  0.6616  1
  As  As2  2  0.0000  0.0000  0.3357  1
  O  O3  4  0.1742  0.8258  0.4917  1
  O  O4  4  0.2157  0.7843  0.1920  1
  O  O5  4  0.2313  0.7687  0.8187  1
]