data_[Ca1Te1Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.5952]
_cell_length_b [5.0304]
_cell_length_c [5.0129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaTeMo2]
_chemical_formula_sum '[Ca1 Te1 Mo2]'
_cell_volume [90.5918]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Te  Te1  1  0.0000  0.5000  0.5000  1
  Mo  Mo2  2  0.0698  0.0000  0.2192  1
]