data_[Ca2Ho1Zr1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8531]
_cell_length_b [3.9347]
_cell_length_c [7.0380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2HoZrP4]
_chemical_formula_sum '[Ca2 Ho1 Zr1 P4]'
_cell_volume [179.7542]
_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  0.0000  0.5000  0.5000  1
  Ca  Ca1  1  0.5000  0.0000  0.5000  1
  Ho  Ho2  1  0.5000  0.5000  0.0000  1
  Zr  Zr3  1  0.0000  0.0000  0.0000  1
  P  P4  2  0.2322  0.5000  0.2262  1
  P  P5  2  0.2453  0.0000  0.7691  1
]