data_[Ca4Mo4As4O20]
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 [C2/c]
_cell_length_a [6.9444]
_cell_length_b [9.2431]
_cell_length_c [7.4996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaMoAsO5]
_chemical_formula_sum '[Ca4 Mo4 As4 O20]'
_cell_volume [441.9318]
_cell_formula_units_Z [4]
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  4  0.0000  0.3268  0.2500  1.0
  Mo  Mo1  4  0.0000  0.0000  0.0000  1.0
  As  As2  4  0.0000  0.3211  0.7500  1.0
  O  O3  8  0.1157  0.2150  0.6289  1.0
  O  O4  8  0.1701  0.4377  0.9207  1.0
  O  O5  4  0.0000  0.0947  0.2500  1.0
]