# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988
# Chemical Composition:  NbPt3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB3_mP16_11_2e_2e2f-001

# Last updated on 2024/08/01

data_Nb4Pt12
_pd_phase_name Nb4Pt12
_cell_length_a  4.8700000000
_cell_length_b  5.5300000000
_cell_length_c  9.2585200000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  79.3830000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/m'
_symmetry_Int_Tables_Number  11
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z
  3  -x,-y,-z
  4  x,-y+1/2,z
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
Nb1 1.0000000000 0.3750000000 0.2500000000 0.3750380000  Biso 1.0 Nb 2 e
Nb2 1.0000000000 0.2083000000 0.2500000000 0.8751880000  Biso 1.0 Nb 2 e
Pt3 1.0000000000 0.6250000000 0.2500000000 0.6249620000  Biso 1.0 Pt 2 e
Pt4 1.0000000000 0.7917000000 0.2500000000 0.1248120000  Biso 1.0 Pt 2 e
Pt5 1.0000000000 0.8750000000 0.0000000000 0.3750380000  Biso 1.0 Pt 4 f
Pt6 1.0000000000 0.7083000000 0.0000000000 0.8751880000  Biso 1.0 Pt 4 f
