data_[Sr2Zr2Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zr  1.3300  1.5500  0.8600
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.4191]
_cell_length_b [5.0548]
_cell_length_c [10.1721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [SrZrMo2]
_chemical_formula_sum '[Sr2 Zr2 Mo4]'
_cell_volume [175.8018]
_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  0.0000  0.0000  0.5248  1
  Zr  Zr1  2  0.0000  0.5000  0.2001  1
  Mo  Mo2  2  0.0000  0.0000  0.9800  1
  Mo  Mo3  2  0.0000  0.5000  0.7951  1
]